Geometry & MOs

Info

ID:	166718
PubChem CID:	74724582
Reduced:	ON5C21H23 (1)
Stoich.:	AB5C21D23 (1)
Weight, g/mol:	438.075981
ΔH_f, kcal/mol:	31.52
Dipole, Da:	2.92
IP(EA), eV:	-9.17(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-[2-cyano-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]ethenyl]-2-methoxy-6-nitrophenolate

Drug info:

PubChemData

Smile

CC1CC(=O)N2C(N=C(NC2=N1)NCC3=CC=CC=C3)C4=CC=C(C=C4)C

DOS

IR

Vibrations