Geometry & MOs

Info

ID:	236298
PubChem CID:	92712278
Reduced:	ClSN2O2C19H19 (1)
Stoich.:	ABC2D2E19F19 (1)
Weight, g/mol:	439.229348
ΔH_f, kcal/mol:	-34.57
Dipole, Da:	7.28
IP(EA), eV:	-8.59(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6aR)-N-[2-(1-adamantylsulfanyl)ethyl]-6-oxo-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCN(C1)C(=O)C2=CC3=C(S2)N=C4C(=C3)C=CC(=C4Cl)OC

DOS

IR

Vibrations