Geometry & MOs

Info

ID:	288000
PubChem CID:	104306608
Reduced:	NSO2C9H19 (1)
Stoich.:	ABC2D9E19 (1)
Weight, g/mol:	388.9755
ΔH_f, kcal/mol:	-112.26
Dipole, Da:	5.42
IP(EA), eV:	-9.53(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[3-(3-hydroxypropyl)phenyl]-2-methylthiophene-3-sulfonamide

Drug info:

PubChemData

Smile

CCC1CS(=O)(=O)C(CN1)C(C)C

DOS

IR

Vibrations