Geometry & MOs

Info

ID:	123596
PubChem CID:	50855045
Reduced:	SO2N4H24C25 (1)
Stoich.:	AB2C4D24E25 (1)
Weight, g/mol:	327.137162
ΔH_f, kcal/mol:	35.13
Dipole, Da:	5.01
IP(EA), eV:	-8.11(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-cyano-N-(2-methylphenyl)-3-(1-phenylpyrrol-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CN1C(=O)/C(=C\C2=CN(C=C2)C3=CC=CC=C3)/SC1=NC4=CC=C(C=C4)N5CCOCC5

DOS

IR

Vibrations