Geometry & MOs

Info

ID:	236299
PubChem CID:	92712289
Reduced:	SO2N3C25H33 (1)
Stoich.:	AB2C3D25E33 (1)
Weight, g/mol:	439.229348
ΔH_f, kcal/mol:	-100.06
Dipole, Da:	1.52
IP(EA), eV:	-8.34(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN2[C@H](C1)C(=O)NC3=C2C=CC(=C3)C(=O)NCCSC45CC6CC(C4)CC(C6)C5

DOS

IR

Vibrations