Geometry & MOs

Info

ID:	174148
PubChem CID:	75730432
Reduced:	SN2O6C21H24 (1)
Stoich.:	AB2C6D21E24 (1)
Weight, g/mol:	474.218843
ΔH_f, kcal/mol:	-187.15
Dipole, Da:	3.8
IP(EA), eV:	-8.79(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-N-[1-[(4-methylphenyl)sulfonylmethylamino]-1-oxoheptan-2-yl]-N-propylbenzamide

Drug info:

PubChemData

Smile

CCCN(C=O)C(C1=CC2=C(C=C1)OCO2)C(=O)NCS(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations