Geometry & MOs

Info

ID:	413927
PubChem CID:	135086878
Reduced:	SN2O5H18C21 (1)
Stoich.:	AB2C5D18E21 (1)
Weight, g/mol:	440.188863
ΔH_f, kcal/mol:	-109.92
Dipole, Da:	4.46
IP(EA), eV:	-8.81(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,1-dibenzyl-3-(2-phenylethynyl)indole-2-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC2=C(C(=C1)OC)N(C3=C2C=CC=N3)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations