Geometry & MOs

Info

ID:	170149
PubChem CID:	75205075
Reduced:	SO2N4H20C24 (1)
Stoich.:	AB2C4D20E24 (1)
Weight, g/mol:	409.155705
ΔH_f, kcal/mol:	60.45
Dipole, Da:	4.05
IP(EA), eV:	-8.39(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxoprop-1-enyl]-N-cyclopropylbenzamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)C2=CC=C(C=C2)C=CC(=O)NC3=CC=C(C=C3)C4=CN5C=CSC5=N4

DOS

IR

Vibrations