Geometry & MOs

Info

ID:	143749
PubChem CID:	53254434
Reduced:	N2O5C13H14 (1)
Stoich.:	A2B5C13D14 (1)
Weight, g/mol:	462.161386
ΔH_f, kcal/mol:	-37.57
Dipole, Da:	5.73
IP(EA), eV:	-9.96(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl [(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-6-(trifluoromethoxy)-3,4-dihydroquinolin-1-yl] carbonate

Drug info:

PubChemData

Smile

CC(C)OC(=O)NOCC#CC1=CC(=CC=C1)[N+](=O)[O-]

DOS

IR

Vibrations