Geometry & MOs

Info

ID:	13992
PubChem CID:	401353
Reduced:	OSCl2N3H21C24 (1)
Stoich.:	ABC2D3E21F24 (1)
Weight, g/mol:	469.078239
ΔH_f, kcal/mol:	45.32
Dipole, Da:	4.1
IP(EA), eV:	-8.59(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dichloro-N-phenyl-N-(4-phenylpiperazine-1-carbothioyl)benzamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2)C(=S)N(C3=CC=CC=C3)C(=O)C4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations