Geometry & MOs

Info

ID:	448941
PubChem CID:	135294621
Reduced:	N6C27H38 (1)
Stoich.:	A6B27C38 (1)
Weight, g/mol:	425.084387
ΔH_f, kcal/mol:	77.59
Dipole, Da:	3.98
IP(EA), eV:	-8.01(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[6-amino-5-(2,3-dichloropyridin-4-yl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-3-ol

Drug info:

PubChemData

Smile

CC/C=C/N=C(/C=C(\C)/C1=CC(=C(C=C1)CNC)C)NC2=NC=C(C=C2)N3CCN(CC3)C

DOS

IR

Vibrations