Geometry & MOs

Info

ID:	194180
PubChem CID:	78495141
Reduced:	ClSN3O3H12C20 (1)
Stoich.:	ABC3D3E12F20 (1)
Weight, g/mol:	372.068097
ΔH_f, kcal/mol:	85.2
Dipole, Da:	4.56
IP(EA), eV:	-9.02(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-nitrophenyl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enenitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(N3C=CSC3=N2)C=CC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

DOS

IR

Vibrations