Geometry & MOs

Info

ID:	143752
PubChem CID:	53254437
Reduced:	NO3C10H14 (2)
Stoich.:	AB3C10D14 (2)
Weight, g/mol:	412.140114
ΔH_f, kcal/mol:	-253.32
Dipole, Da:	3.33
IP(EA), eV:	-9.03(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl [(3S)-7-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-3,4-dihydroquinolin-1-yl] carbonate

Drug info:

PubChemData

Smile

CC1=CC2=C(C[C@@H](C(=O)N2OC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C=C1

DOS

IR

Vibrations