Geometry & MOs

Info

ID:	394932
PubChem CID:	135024187
Reduced:	SN2O4H22C27 (1)
Stoich.:	AB2C4D22E27 (1)
Weight, g/mol:	423.104148
ΔH_f, kcal/mol:	-41.28
Dipole, Da:	6.53
IP(EA), eV:	-8.84(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(4-methylphenyl)sulfonyl-2-phenylindol-3-yl]methylidene]propanedinitrile

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#N

DOS

IR

Vibrations