Geometry & MOs

Info

ID:	39828
PubChem CID:	8142527
Reduced:	SO3N4C17H22 (1)
Stoich.:	AB3C4D17E22 (1)
Weight, g/mol:	412.193297
ΔH_f, kcal/mol:	-62.15
Dipole, Da:	10.7
IP(EA), eV:	-8.42(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethylphenyl)-2-[(5S)-4-oxo-2-[(2E)-2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)hydrazinyl]-1,3-thiazol-5-yl]acetamide

Drug info:

PubChemData

Smile

CCC/C(=N\NC1=NC(=O)[C@H](S1)CC(=O)NC2=CC=C(C=C2)OC)/C

DOS

IR

Vibrations