Geometry & MOs

Info

ID:	182164
PubChem CID:	76855034
Reduced:	N3O3C17H21 (1)
Stoich.:	A3B3C17D21 (1)
Weight, g/mol:	458.144633
ΔH_f, kcal/mol:	-84.69
Dipole, Da:	2.96
IP(EA), eV:	-9.48(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[3-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methylidene]-2-oxocyclohexylidene]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC=CC=C2)C(=O)NC(C(C)C)C(=O)OC

DOS

IR

Vibrations