Geometry & MOs

Info

ID:	366220
PubChem CID:	127319669
Reduced:	S2N3O3C18H19 (1)
Stoich.:	A2B3C3D18E19 (1)
Weight, g/mol:	396.11775
ΔH_f, kcal/mol:	-48.18
Dipole, Da:	7.13
IP(EA), eV:	-8.91(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-3-yl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=C(S2)C(=O)NC3CCCS(=O)(=O)C3)C4=CC=CC=C4

DOS

IR

Vibrations