Geometry & MOs

Info

ID:	26881
PubChem CID:	801367
Reduced:	ClSN2O3H11C15 (1)
Stoich.:	ABC2D3E11F15 (1)
Weight, g/mol:	349.09819
ΔH_f, kcal/mol:	-68.75
Dipole, Da:	7.45
IP(EA), eV:	-9.21(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-chlorophenyl)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC(=CC=C2)Cl)C(=O)O

DOS

IR

Vibrations