Geometry & MOs

Info

ID:	39324
PubChem CID:	8140267
Reduced:	ON2C21H26 (1)
Stoich.:	AB2C21D26 (1)
Weight, g/mol:	359.990631
ΔH_f, kcal/mol:	-16.45
Dipole, Da:	4.2
IP(EA), eV:	-8.52(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chlorothiophen-2-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethanone

Drug info:

PubChemData

Smile

CN(C)CC1=CC=CC=C1CNC(=O)C2=CC3=C(CCCC3)C=C2

DOS

IR

Vibrations