Geometry & MOs

Info

ID:	182232
PubChem CID:	76861919
Reduced:	O3N4H24C27 (1)
Stoich.:	A3B4C24D27 (1)
Weight, g/mol:	425.177313
ΔH_f, kcal/mol:	7.21
Dipole, Da:	3.28
IP(EA), eV:	-9.12(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-4-[3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxoprop-1-enyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C=CC3=CC(=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations