Geometry & MOs

Info

ID:	120705
PubChem CID:	50740766
Reduced:	SO3N4C30H30 (1)
Stoich.:	AB3C4D30E30 (1)
Weight, g/mol:	431.076219
ΔH_f, kcal/mol:	13.05
Dipole, Da:	10.96
IP(EA), eV:	-8.11(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)/C=C\2/C(=NC(=O)S2)N3C(CC(=N3)C4=CC=C(C=C4)OC)C5=CC=CC=C5O

DOS

IR

Vibrations