Geometry & MOs

Info

ID:	446098
PubChem CID:	135272358
Reduced:	N5O8C21H41 (1)
Stoich.:	A5B8C21D41 (1)
Weight, g/mol:	523.285343
ΔH_f, kcal/mol:	-380.07
Dipole, Da:	2.79
IP(EA), eV:	-9.25(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-[[(8aS)-7-amino-2-[(4R)-5-amino-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-3-(methylamino)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]oxy]-4,6-diaminocyclohexane-1,2-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

CC1[C@H]([C@@H](C(C(O1)OC2C(C(C3[C@@H](O2)CC(C(O3)OC4CC[C@@H](CC4N)N)N)O)NC)O)O)N

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

CC1[C@H]([C@@H](C(C(O1)OC2C(C(C3[C@@H](O2)CC(C(O3)OC4CC[C@@H](CC4N)N)N)O)NC)O)O)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):