Geometry & MOs

Info

ID:	344887
PubChem CID:	127268647
Reduced:	NS2O3C8H17 (1)
Stoich.:	AB2C3D8E17 (1)
Weight, g/mol:	376.058521
ΔH_f, kcal/mol:	-128.55
Dipole, Da:	2.15
IP(EA), eV:	-8.66(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-3-(1,4-thiazepan-4-ylsulfonyl)benzenesulfonamide

Drug info:

PubChemData

Smile

COCCS(=O)(=O)N1CCCSCC1

DOS

IR

Vibrations