Geometry & MOs

Info

ID:	34508
PubChem CID:	7978591
Reduced:	SN2O3C19H24 (1)
Stoich.:	AB2C3D19E24 (1)
Weight, g/mol:	422.166414
ΔH_f, kcal/mol:	-104.9
Dipole, Da:	9.14
IP(EA), eV:	-9.26(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methylphenyl)methyl]-3-(N-(4-methylphenyl)sulfonylanilino)propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)CCNS(=O)(=O)C2=CC(=C(C=C2)C)C

DOS

IR

Vibrations