Geometry & MOs

Info

ID:	150237
PubChem CID:	53789924
Reduced:	Cl2S2O5C20H24 (1)
Stoich.:	A2B2C5D20E24 (1)
Weight, g/mol:	379.202655
ΔH_f, kcal/mol:	-220.26
Dipole, Da:	4.92
IP(EA), eV:	-9.03(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-(3-methoxycyclohexyl)-5-propan-2-yl-5a,6,7,8,9,9a-hexahydroimidazo[1,5-a]quinoxalin-4-one

Drug info:

PubChemData

Smile

C1C([C@@H](C(C1=O)SCCCSCC(=O)O)C=CC(CC2=CC(=C(C=C2)Cl)Cl)O)O

DOS

IR

Vibrations