Geometry & MOs

Info

ID:	305134
PubChem CID:	124766566
Reduced:	N2O4C15H20 (1)
Stoich.:	A2B4C15D20 (1)
Weight, g/mol:	554.181979
ΔH_f, kcal/mol:	-143.12
Dipole, Da:	5.65
IP(EA), eV:	-9.03(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-butan-2-yl] (4R,7S)-4-(4-chloro-3-nitrophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Drug info:

PubChemData

Smile

CC[C@@H](C(=NNC(=O)C1=CC=CC=C1O)C)C(=O)OCC

DOS

IR

Vibrations