Geometry & MOs

Info

ID:	37211
PubChem CID:	8018272
Reduced:	SN3O4H15C20 (1)
Stoich.:	AB3C4D15E20 (1)
Weight, g/mol:	342.07712
ΔH_f, kcal/mol:	-42.71
Dipole, Da:	7.24
IP(EA), eV:	-8.75(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 4-cyanobenzoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)COC(=O)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations