Geometry & MOs

Info

ID:	132999
PubChem CID:	51460098
Reduced:	SO2N4C21H30 (1)
Stoich.:	AB2C4D21E30 (1)
Weight, g/mol:	410.188881
ΔH_f, kcal/mol:	-48.19
Dipole, Da:	4.51
IP(EA), eV:	-8.52(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-propyl-5a,6,7,8,9,9a-hexahydro-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Drug info:

PubChemData

Smile

CC[C@@H](C)SC1=NN=C(N1C2CCCCC2)CNC(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations