Geometry & MOs

Info

ID:	151028
PubChem CID:	53790725
Reduced:	ClO2C21H27 (1)
Stoich.:	AB2C21D27 (1)
Weight, g/mol:	382.129549
ΔH_f, kcal/mol:	-92.7
Dipole, Da:	1.87
IP(EA), eV:	-8.77(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-chloro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-3,4-dihydroquinolin-7-yl]acetate

Drug info:

PubChemData

Smile

CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC=CC[C@]34C)Cl)C)O

DOS

IR

Vibrations