Geometry & MOs

Info

ID:	448901
PubChem CID:	135294394
Reduced:	SO3N6C25H38 (1)
Stoich.:	AB3C6D25E38 (1)
Weight, g/mol:	389.144095
ΔH_f, kcal/mol:	-91.99
Dipole, Da:	8.61
IP(EA), eV:	-8.15(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(8-azaspiro[4.5]decan-8-yl)-3-(2-chloro-3-methylpyridin-4-yl)sulfanylpyrazin-2-amine

Drug info:

PubChemData

Smile

CCC(CCN(CC[C@@H](C1=NC=CS1)NC(=O)C)/C=C/C)N2C(=NC3=C2CCN(C3)C(=O)OC)C

DOS

IR

Vibrations