Geometry & MOs

Info

ID:	302870
PubChem CID:	124397842
Reduced:	NOC7H13 (1)
Stoich.:	ABC7D13 (1)
Weight, g/mol:	453.127111
ΔH_f, kcal/mol:	-71.15
Dipole, Da:	4.6
IP(EA), eV:	-9.69(1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2S,3S,4S)-2,3,4,5-tetraacetyloxypentanoyl]amino]benzoic acid

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@@H](NC1=O)C

DOS

IR

Vibrations