Geometry & MOs

Info

ID:	37243
PubChem CID:	8018690
Reduced:	N2O3C19H25 (1)
Stoich.:	A2B3C19D25 (1)
Weight, g/mol:	413.140927
ΔH_f, kcal/mol:	-67.82
Dipole, Da:	1.53
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.123238
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethoxy-4-[[[2-(2-methoxyethylimino)-4-phenyl-1,3-thiazol-3-yl]amino]methylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@H](CNC(=O)C2=CC=CO2)[NH+]3CCCCC3

DOS

IR

Vibrations