Geometry & MOs

Info

ID:	39829
PubChem CID:	8142529
Reduced:	SO2N4C22H28 (1)
Stoich.:	AB2C4D22E28 (1)
Weight, g/mol:	414.172562
ΔH_f, kcal/mol:	-46.87
Dipole, Da:	5.88
IP(EA), eV:	-8.47(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxyphenyl)-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

CC1=C/C(=N/NC2=NC(=O)[C@@H](S2)CC(=O)NC3=C(C=CC(=C3)C)C)/CC(C1)(C)C

DOS

IR

Vibrations