Geometry & MOs

Info

ID:	178521
PubChem CID:	76341424
Reduced:	N3O4C25H31 (1)
Stoich.:	A3B4C25D31 (1)
Weight, g/mol:	456.183127
ΔH_f, kcal/mol:	-104.71
Dipole, Da:	2.19
IP(EA), eV:	-8.3(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(methylsulfamoyl)phenyl]-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C=CC(=O)NCCC(=O)N2CCN(CC2)C3=CC=CC=C3)OC

DOS

IR

Vibrations