Geometry & MOs

Info

ID:	166154
PubChem CID:	74642706
Reduced:	SO4N5C25H25 (1)
Stoich.:	AB4C5D25E25 (1)
Weight, g/mol:	446.187543
ΔH_f, kcal/mol:	-45.89
Dipole, Da:	12.33
IP(EA), eV:	-8.64(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dipropoxyphenyl)-3-(2-phenylethenylsulfonylamino)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3NS(=O)(=O)C4C=CC5=NC(=O)NC5=C4

DOS

IR

Vibrations