Geometry & MOs

Info

ID:	381598
PubChem CID:	134972382
Reduced:	N3O3C16H19 (1)
Stoich.:	A3B3C16D19 (1)
Weight, g/mol:	419.119129
ΔH_f, kcal/mol:	-91.92
Dipole, Da:	4.06
IP(EA), eV:	-8.86(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-(4-methoxyphenyl)-1-[1-(4-methylphenyl)sulfonylindol-2-yl]ethenol

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N(C1=O)C3=C(CNCC3)C(=O)OC

DOS

IR

Vibrations