Geometry & MOs

Info

ID:	394933
PubChem CID:	135024188
Reduced:	SO2N3H17C25 (1)
Stoich.:	AB2C3D17E25 (1)
Weight, g/mol:	591.192688
ΔH_f, kcal/mol:	84.43
Dipole, Da:	11.59
IP(EA), eV:	-8.88(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[[2-[(3,4-dimethoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylindol-3-yl]methylidene]propanedioate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C(=C2C4=CC=CC=C4)C=C(C#N)C#N

DOS

IR

Vibrations