Geometry & MOs

Info

ID:	166060
PubChem CID:	74631709
Reduced:	SO4N5C23H29 (1)
Stoich.:	AB4C5D23E29 (1)
Weight, g/mol:	402.161329
ΔH_f, kcal/mol:	-96.27
Dipole, Da:	12.28
IP(EA), eV:	-9.0(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(methylsulfamoyl)phenyl]-N-[3-(1-phenylethoxy)propyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)CCCNC(=O)C2=CC=CC=C2NS(=O)(=O)C3C=CC4=NC(=O)NC4=C3

DOS

IR

Vibrations