Geometry & MOs

Info

ID:	28960
PubChem CID:	830878
Reduced:	SN2O3C16H25 (1)
Stoich.:	AB2C3D16E25 (1)
Weight, g/mol:	330.07712
ΔH_f, kcal/mol:	-110.03
Dipole, Da:	7.95
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.765401
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-oxopyrrolidin-1-yl)phenyl] N-(4-chlorophenyl)carbamate

Drug info:

PubChemData

Smile

CC[N+](CC)(CC)S(=O)(=O)C1=CC=C(C=C1)N2CCCC2=O

DOS

IR

Vibrations