Geometry & MOs

Info

ID:	37234
PubChem CID:	8018608
Reduced:	N2O3H20C23 (1)
Stoich.:	A2B3C20D23 (1)
Weight, g/mol:	391.099063
ΔH_f, kcal/mol:	-28.46
Dipole, Da:	9.09
IP(EA), eV:	-8.92(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 4-cyanobenzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)COC(=O)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations