Geometry & MOs

Info

ID:	413930
PubChem CID:	135086881
Reduced:	SN2O2H16C22 (1)
Stoich.:	AB2C2D16E22 (1)
Weight, g/mol:	454.204513
ΔH_f, kcal/mol:	114.87
Dipole, Da:	6.29
IP(EA), eV:	-8.68(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-(4-methylphenyl)-3-[2-(4-methylphenyl)ethynyl]indole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(C#CC2=CN=CC=C2)C3=CC=CC=C3C#C

DOS

IR

Vibrations