Geometry & MOs

Info

ID:	63285
PubChem CID:	26750488
Reduced:	N2O5H18C19 (1)
Stoich.:	A2B5C18D19 (1)
Weight, g/mol:	422.108956
ΔH_f, kcal/mol:	-151.55
Dipole, Da:	1.73
IP(EA), eV:	-8.91(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-[3-oxo-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]propan-2-yl] 3-methoxybenzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CC(=O)NC2=CC=CC=C21)OC(=O)C3=CC(=CC=C3)OC

DOS

IR

Vibrations