Geometry & MOs

Info

ID:	438591
PubChem CID:	135228335
Reduced:	O2C15H20 (1)
Stoich.:	A2B15C20 (1)
Weight, g/mol:	512.159508
ΔH_f, kcal/mol:	-4.83
Dipole, Da:	4.04
IP(EA), eV:	-8.62(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4R)-8-[6-amino-5-(3-chloro-2-fluoropyridin-4-yl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide

Drug info:

PubChemData

Smile

CC1CC2[C@]1(CC2OC)C3=C(C=CC=C3O)C

DOS

IR

Vibrations