Geometry & MOs

Info

ID:	440674
PubChem CID:	135230898
Reduced:	ClSN5C18H22 (1)
Stoich.:	ABC5D18E22 (1)
Weight, g/mol:	418.134258
ΔH_f, kcal/mol:	51.01
Dipole, Da:	5.17
IP(EA), eV:	-8.72(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-amino-3-chloropyridin-4-yl)sulfanyl-6-[(3R)-3-ethenyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine

Drug info:

PubChemData

Smile

C1CCC2(C1)CCN(CC2)C3=CN=C(C=N3)SC4=C(C(=NC=C4)N)Cl

DOS

IR

Vibrations