Geometry & MOs

Info

ID:	442970
PubChem CID:	135257166
Reduced:	O2F3N3C9H12 (1)
Stoich.:	A2B3C3D9E12 (1)
Weight, g/mol:	567.129623
ΔH_f, kcal/mol:	-248.8
Dipole, Da:	4.47
IP(EA), eV:	-9.63(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4S)-8-[5-(2,3-dichlorophenyl)sulfanylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide

Drug info:

PubChemData

Smile

CN1CCC2(C(C1)C(F)(F)F)C(=O)NC(=O)N2

DOS

IR

Vibrations