Geometry & MOs

Info

ID:	167067
PubChem CID:	74775583
Reduced:	N2O3H11C13 (1)
Stoich.:	A2B3C11D13 (1)
Weight, g/mol:	426.088557
ΔH_f, kcal/mol:	-44.9
Dipole, Da:	2.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.844118
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(3-nitrophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C(=O)[O-])N1C(=O)C=CC(=N1)C2=CC=CC=C2

DOS

IR

Vibrations