Geometry & MOs

Info

ID:	120706
PubChem CID:	50740787
Reduced:	O2S2N3H17C23 (1)
Stoich.:	A2B2C3D17E23 (1)
Weight, g/mol:	459.080826
ΔH_f, kcal/mol:	68.76
Dipole, Da:	7.81
IP(EA), eV:	-8.7(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-3H-1,3-thiazol-2-one

Drug info:

PubChemData

Smile

C1C(N(N=C1C2=CC=CC=C2)C\3=NC(=O)S/C3=C\C4=CC=CS4)C5=CC=CC=C5O

DOS

IR

Vibrations