Geometry & MOs

Info

ID:	320592
PubChem CID:	126661953
Reduced:	O2S2N5C20H23 (1)
Stoich.:	A2B2C5D20E23 (1)
Weight, g/mol:	503.090824
ΔH_f, kcal/mol:	15.2
Dipole, Da:	5.58
IP(EA), eV:	-8.62(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(4-cyanophenyl)sulfanylpiperazin-1-yl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CN(CCN(CCN)C=O)C1=CC=CC=C1NC(=O)C2=CSC(=N2)C3=CC=CS3

DOS

IR

Vibrations