Geometry & MOs

Info

ID:	133184
PubChem CID:	51488556
Reduced:	O2N3H19C20 (1)
Stoich.:	A2B3C19D20 (1)
Weight, g/mol:	441.262757
ΔH_f, kcal/mol:	6.23
Dipole, Da:	5.94
IP(EA), eV:	-8.83(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate

Drug info:

PubChemData

Smile

C1[C@@H](COC2=CC=CC=C21)C(=O)NCC3=CN(N=C3)C4=CC=CC=C4

DOS

IR

Vibrations