Geometry & MOs

Info

ID:	64608
PubChem CID:	29203220
Reduced:	N3O5C17H21 (1)
Stoich.:	A3B5C17D21 (1)
Weight, g/mol:	347.148121
ΔH_f, kcal/mol:	-143.86
Dipole, Da:	4.47
IP(EA), eV:	-8.79(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-acetamidophenyl)-2-[(1S,2R,3S)-3-methyl-2-(nitromethyl)-5-oxocyclopentyl]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CC(=O)[C@H]([C@@H]1C[N+](=O)[O-])CC(=O)NC2=CC=CC(=C2)NC(=O)C

DOS

IR

Vibrations