Geometry & MOs

Info

ID:	366101
PubChem CID:	127319462
Reduced:	SN3O3C16H25 (1)
Stoich.:	AB3C3D16E25 (1)
Weight, g/mol:	394.042392
ΔH_f, kcal/mol:	-105.99
Dipole, Da:	3.69
IP(EA), eV:	-9.4(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1,1-dioxothian-3-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)(C)N1C(=CC(=N1)C(=O)NC2CCCS(=O)(=O)C2)C3CC3

DOS

IR

Vibrations