Geometry & MOs

Info

ID:	64487
PubChem CID:	29201555
Reduced:	S2N3O6C17H19 (1)
Stoich.:	A2B3C6D17E19 (1)
Weight, g/mol:	320.137222
ΔH_f, kcal/mol:	-206.72
Dipole, Da:	7.81
IP(EA), eV:	-9.55(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxyphenyl)-2-[(1S,2R,3S)-3-methyl-2-(nitromethyl)-5-oxocyclopentyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(=O)NCC(=O)O[C@@H](C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N

DOS

IR

Vibrations