Geometry & MOs

Info

ID:	302911
PubChem CID:	124403651
Reduced:	FN3O3C24H26 (1)
Stoich.:	AB3C3D24E26 (1)
Weight, g/mol:	456.273656
ΔH_f, kcal/mol:	-153.34
Dipole, Da:	5.5
IP(EA), eV:	-8.52(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4aR,8aS)-N-cyclohexyl-2-[2-(4-ethoxyanilino)-2-oxoethyl]-3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C[C@@H]2C(=O)N[C@@H]3CCCC[C@@H]3N2C(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations