Geometry & MOs

Info

ID:	31531
PubChem CID:	855832
Reduced:	SN3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	287.084081
ΔH_f, kcal/mol:	11.16
Dipole, Da:	5.78
IP(EA), eV:	-8.37(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6,9-dimethyl-1H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@H]1NC2=C3C(=C(SC3=NC=N2)C)C

DOS

IR

Vibrations