Geometry & MOs

Info

ID:	33894
PubChem CID:	7888616
Reduced:	OSN4C22H22 (1)
Stoich.:	ABC4D22E22 (1)
Weight, g/mol:	384.104482
ΔH_f, kcal/mol:	68.98
Dipole, Da:	7.03
IP(EA), eV:	-8.62(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-phenyl-1H-indol-3-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(N1[C@H](C)C2=CC=CC=C2)C)C(=O)CSC3=NN=C4N3C=CC=C4

DOS

IR

Vibrations