Geometry & MOs

Info

ID:	448910
PubChem CID:	135294452
Reduced:	IN3O3C19H34 (1)
Stoich.:	AB3C3D19E34 (1)
Weight, g/mol:	519.01567
ΔH_f, kcal/mol:	-177.84
Dipole, Da:	2.46
IP(EA), eV:	-8.95(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(8-azaspiro[4.5]decan-8-yl)-3-(3-chloro-2-fluoropyridin-4-yl)sulfanyl-N-iodopyrazin-2-amine

Drug info:

PubChemData

Smile

CC(C(CC(=O)N)N1CCC2(CCC[C@H]2NC(=O)OC(C)(C)C)CC1)I

DOS

IR

Vibrations