Geometry & MOs

Info

ID:	392879
PubChem CID:	135018287
Reduced:	N2O12C25H32 (1)
Stoich.:	A2B12C25D32 (1)
Weight, g/mol:	504.195524
ΔH_f, kcal/mol:	-514.64
Dipole, Da:	1.86
IP(EA), eV:	-9.48(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-3-methyl-2-[[(2R,4S,5R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]carbamoylamino]butanoate

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

CC(=O)OCC1[C@H]([C@@H](C([C@@H](O1)NC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)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

CC(=O)OCC1[C@H]([C@@H](C([C@@H](O1)NC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):