Geometry & MOs

Info

ID:	440684
PubChem CID:	135230954
Reduced:	SO2F3N5C21H26 (1)
Stoich.:	AB2C3D5E21F26 (1)
Weight, g/mol:	377.107709
ΔH_f, kcal/mol:	-210.67
Dipole, Da:	6.43
IP(EA), eV:	-8.76(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-[5-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanylpyridin-2-amine

Drug info:

PubChemData

Smile

CC[C@H]1CC2(CCN(CC2)C3=NC(=C(C(=O)N3C)SC4=C(N=CC=C4)C(F)(F)F)N)CO1

DOS

IR

Vibrations