Geometry & MOs

Info

ID:	175144
PubChem CID:	75861448
Reduced:	SO2N3C19H28 (1)
Stoich.:	AB2C3D19E28 (1)
Weight, g/mol:	352.133102
ΔH_f, kcal/mol:	-50.89
Dipole, Da:	12.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.033822
Charge, e:	-1

Chem-info

IUPAC name:

[3-[1-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]ethyl]phenyl]-methylsulfonylazanide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C2=NC(=CS2)CC(=O)NCC3CCC[NH+](C3)C(C)C

DOS

IR

Vibrations