Geometry & MOs

Info

ID:	39827
PubChem CID:	8142526
Reduced:	SO3N4C17H22 (1)
Stoich.:	AB3C4D17E22 (1)
Weight, g/mol:	362.141262
ΔH_f, kcal/mol:	-67.29
Dipole, Da:	4.71
IP(EA), eV:	-8.19(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxyphenyl)-2-[(5R)-4-oxo-2-[(2Z)-2-pentan-2-ylidenehydrazinyl]-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