Geometry & MOs

Info

ID:	27336
PubChem CID:	820754
Reduced:	ClOS2N3H10C11 (1)
Stoich.:	ABC2D3E10F11 (1)
Weight, g/mol:	345.031647
ΔH_f, kcal/mol:	28.9
Dipole, Da:	3.13
IP(EA), eV:	-9.1(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(2-chlorophenyl)-2-cyano-N-(2-fluoro-5-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CSC(=N2)SCC(=O)NN)Cl

DOS

IR

Vibrations