Geometry & MOs

Info

ID:	123179
PubChem CID:	50836565
Reduced:	NOC7H7 (3)
Stoich.:	ABC7D7 (3)
Weight, g/mol:	462.12811
ΔH_f, kcal/mol:	-60.21
Dipole, Da:	4.13
IP(EA), eV:	-9.32(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

CCCOC(=O)C1=CN=C2C(=C1NC3=CC=C(C=C3)C(=O)C)C=CC(=N2)C

DOS

IR

Vibrations