Geometry & MOs

Info

ID:	268225
PubChem CID:	103598457
Reduced:	ClOSN2H13C14 (1)
Stoich.:	ABCD2E13F14 (1)
Weight, g/mol:	350.120132
ΔH_f, kcal/mol:	11.33
Dipole, Da:	3.24
IP(EA), eV:	-9.52(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(2-cyanoethyl)indol-3-yl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NC=C(S1)CNC(=O)C=CC2=CC=C(C=C2)Cl

DOS

IR

Vibrations