Geometry & MOs

Info

ID:	360931
PubChem CID:	127301762
Reduced:	SN3O4C19H19 (1)
Stoich.:	AB3C4D19E19 (1)
Weight, g/mol:	388.112664
ΔH_f, kcal/mol:	-56.69
Dipole, Da:	4.35
IP(EA), eV:	-9.86(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1,1-dioxo-1,4-thiazepan-4-yl)-3-oxopropyl]-3,4-dimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=CC(=N2)C3=CC=CC=C3)C(=O)N4CCCS(=O)(=O)CC4

DOS

IR

Vibrations