Geometry & MOs

Info

ID:	120702
PubChem CID:	50740712
Reduced:	FSO2N3H18C25 (1)
Stoich.:	ABC2D3E18F25 (1)
Weight, g/mol:	457.101561
ΔH_f, kcal/mol:	22.03
Dipole, Da:	5.99
IP(EA), eV:	-9.08(-1.07)
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-[(2-methylphenyl)methylidene]-1,3-thiazol-2-one

Drug info:

PubChemData

Smile

C1C(N(N=C1C2=CC=CC=C2)C3=NC(=O)/C(=C/C4=CC=C(C=C4)F)/S3)C5=CC=CC=C5O

DOS

IR

Vibrations