Geometry & MOs

Info

ID:	137236
PubChem CID:	52175457
Reduced:	BrN2S2O3C10H13 (1)
Stoich.:	AB2C2D3E10F13 (1)
Weight, g/mol:	351.9551
ΔH_f, kcal/mol:	-88.33
Dipole, Da:	5.72
IP(EA), eV:	-9.52(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[(3S)-2-oxoazepan-3-yl]thiophene-2-sulfonamide

Drug info:

PubChemData

Smile

C1CCNC(=O)[C@@H](C1)NS(=O)(=O)C2=CC=C(S2)Br

DOS

IR

Vibrations