Geometry & MOs

Info

ID:	448548
PubChem CID:	135291761
Reduced:	IC5S5H9 (1)
Stoich.:	AB5C5D9 (1)
Weight, g/mol:	537.210008
ΔH_f, kcal/mol:	25.12
Dipole, Da:	1.93
IP(EA), eV:	-8.46(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[(6R,8aS)-6-methyl-1,3,5,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(C1SCSSCSS1)I

DOS

IR

Vibrations