Geometry & MOs

Info

ID:	446097
PubChem CID:	135272356
Reduced:	N2O10C37H56 (1)
Stoich.:	A2B10C37D56 (1)
Weight, g/mol:	491.295513
ΔH_f, kcal/mol:	-468.24
Dipole, Da:	5.55
IP(EA), eV:	-9.6(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5S)-2-[[(8aS)-7-amino-6-[(4S)-2,4-diaminocyclohexyl]oxy-4-hydroxy-3-(methylamino)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]oxy]-5-amino-6-methyloxane-3,4-diol

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCC1[C@H]([C@@H](C(C(O1)OC2C3C(C4[C@@H](O2)CC(C(O4)OC5[C@@H](C(C(CC5C)NC(=O)OCC6=CC=CC=C6)C)O)C)OC(=O)N3C)C)C)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCC1[C@H]([C@@H](C(C(O1)OC2C3C(C4[C@@H](O2)CC(C(O4)OC5[C@@H](C(C(CC5C)NC(=O)OCC6=CC=CC=C6)C)O)C)OC(=O)N3C)C)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):