Geometry & MOs

Info

ID:	171639
PubChem CID:	75409029
Reduced:	N2O3H26C27 (1)
Stoich.:	A2B3C26D27 (1)
Weight, g/mol:	502.094705
ΔH_f, kcal/mol:	-21.5
Dipole, Da:	5.61
IP(EA), eV:	-8.58(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-cyano-N-(2-hydroxy-4-nitrophenyl)-3-[1-(4-methylphenyl)sulfonylindol-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)COC2=C(C=C(C=C2)/C=C(/C#N)\C(=O)NC3=CC(=C(C=C3)C)C)OC

DOS

IR

Vibrations