Geometry & MOs

Info

ID:	63042
PubChem CID:	26738199
Reduced:	N2O5C22H22 (1)
Stoich.:	A2B5C22D22 (1)
Weight, g/mol:	417.114713
ΔH_f, kcal/mol:	-137.79
Dipole, Da:	2.6
IP(EA), eV:	-8.69(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dimethylphenyl)-N-[4-[(Z)-(1,3-dioxoisoquinolin-4-ylidene)methyl]-1,3-thiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C3=CC=CC=C3C(=O)NC2=O)OCC(=O)N(C)C

DOS

IR

Vibrations