Geometry & MOs

Info

ID:	440673
PubChem CID:	135230896
Reduced:	N2O2F3H25C28 (1)
Stoich.:	A2B2C3D25E28 (1)
Weight, g/mol:	375.128445
ΔH_f, kcal/mol:	-151.84
Dipole, Da:	1.97
IP(EA), eV:	-8.28(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine

Drug info:

PubChemData

Smile

CC(C)(CN1CCC2=C(C1C3=C(C=C(C=C3F)C4=CC=C(C=C4)C(=O)O)F)NC5=CC=CC=C25)F

DOS

IR

Vibrations