Geometry & MOs

Info

ID:	85861
PubChem CID:	49879786
Reduced:	ClO3N4H17C25 (1)
Stoich.:	AB3C4D17E25 (1)
Weight, g/mol:	443.120068
ΔH_f, kcal/mol:	82.99
Dipole, Da:	8.38
IP(EA), eV:	-9.08(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-(3-chlorophenyl)-2-cyano-3-[1-[(2-fluorophenyl)methyl]-2-methylindol-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)[N+](=O)[O-])/C=C(/C#N)\C(=O)NC4=CC(=CC=C4)Cl

DOS

IR

Vibrations