Geometry & MOs

Info

ID:	201774
PubChem CID:	79580815
Reduced:	ClNSO3C12H18 (1)
Stoich.:	ABCD3E12F18 (1)
Weight, g/mol:	298.035649
ΔH_f, kcal/mol:	-123.71
Dipole, Da:	4.03
IP(EA), eV:	-8.97(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-chloro-2-nitrophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(CS(=O)(=O)NCC1=CC=C(C=C1)OC)CCl

DOS

IR

Vibrations