Geometry & MOs

Info

ID:	244586
PubChem CID:	99368075
Reduced:	N2S2O4C21H22 (1)
Stoich.:	A2B2C4D21E22 (1)
Weight, g/mol:	423.150429
ΔH_f, kcal/mol:	-94.86
Dipole, Da:	1.98
IP(EA), eV:	-8.83(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzenesulfonylmethyl)-N-[(2-hydroxyphenyl)methyl]-N-propylbenzamide

Drug info:

PubChemData

Smile

CCCN(CC1=CC=CC=C1O)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CS3

DOS

IR

Vibrations