Geometry & MOs

Info

ID:	66121
PubChem CID:	46493574
Reduced:	ClFN2O2S2H16C20 (1)
Stoich.:	ABC2D2E2F16G20 (1)
Weight, g/mol:	370.179361
ΔH_f, kcal/mol:	-76.35
Dipole, Da:	9.29
IP(EA), eV:	-8.38(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-cyano-3-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-N-(2-ethylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)NC(=O)C2=C(C=C(C=C2)F)Cl)C(=O)NC3=CC=C(C=C3)SC

DOS

IR

Vibrations