Geometry & MOs

Info

ID:	68568
PubChem CID:	46508663
Reduced:	S2N3O4C25H27 (1)
Stoich.:	A2B3C4D25E27 (1)
Weight, g/mol:	454.115163
ΔH_f, kcal/mol:	-94.44
Dipole, Da:	4.12
IP(EA), eV:	-8.96(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-2,6-diethylphenyl)-2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]acetamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CC1N(CC2=CC=CS2)CC(=O)NC3=CC=CC=C3C(=O)NCC4=CC=CC=C4

DOS

IR

Vibrations