Geometry & MOs

Info

ID:	278375
PubChem CID:	103835154
Reduced:	NSO3C16H27 (1)
Stoich.:	ABC3D16E27 (1)
Weight, g/mol:	313.134779
ΔH_f, kcal/mol:	-156.42
Dipole, Da:	6.37
IP(EA), eV:	-9.66(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CCC(CC)C(CNS(=O)(=O)C1=C(C=C(C=C1C)C)C)O

DOS

IR

Vibrations