Geometry & MOs

Info

ID:	120707
PubChem CID:	50740788
Reduced:	ClSO2N3H18C25 (1)
Stoich.:	ABC2D3E18F25 (1)
Weight, g/mol:	444.08116
ΔH_f, kcal/mol:	57.63
Dipole, Da:	5.64
IP(EA), eV:	-8.72(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-4-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-(pyridin-3-ylmethylidene)-1,3-thiazol-2-one

Drug info:

PubChemData

Smile

C1C(N(N=C1C2=CC=CC=C2)C3=C(SC(=O)N3)C=C4C=CC(=O)C=C4)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations