Geometry & MOs

Info

ID:	135360
PubChem CID:	51859027
Reduced:	O2S3N4C22H22 (1)
Stoich.:	A2B3C4D22E22 (1)
Weight, g/mol:	384.044775
ΔH_f, kcal/mol:	52.41
Dipole, Da:	1.74
IP(EA), eV:	-8.68(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3S)-3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-nitroso-3H-1,3-thiazol-2-one

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NN=C(S2)SCC3=CC=C(C=C3)OC

DOS

IR

Vibrations