Geometry & MOs

Info

ID:	361820
PubChem CID:	127304726
Reduced:	SN3O4C15H21 (1)
Stoich.:	AB3C4D15E21 (1)
Weight, g/mol:	385.076613
ΔH_f, kcal/mol:	-159.3
Dipole, Da:	3.67
IP(EA), eV:	-8.86(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-N-[2-(1,1-dioxo-1,4-thiazepan-4-yl)-2-oxoethyl]-N-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)NCC(=O)N2CCCS(=O)(=O)CC2

DOS

IR

Vibrations