Geometry & MOs

Info

ID:	394931
PubChem CID:	135024186
Reduced:	NSO5H27C33 (1)
Stoich.:	ABC5D27E33 (1)
Weight, g/mol:	470.130028
ΔH_f, kcal/mol:	-75.29
Dipole, Da:	4.98
IP(EA), eV:	-8.81(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (Z)-2-cyano-3-[1-(4-methylphenyl)sulfonyl-2-phenylindol-3-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C\C1=C(N(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C)C4=CC=CC=C4)/C(=O)C5=CC=CC=C5

DOS

IR

Vibrations