Geometry & MOs

Info

ID:	302133
PubChem CID:	124349655
Reduced:	SN2O5C23H28 (1)
Stoich.:	AB2C5D23E28 (1)
Weight, g/mol:	362.13972
ΔH_f, kcal/mol:	-162.6
Dipole, Da:	2.75
IP(EA), eV:	-8.47(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-1-[(7-chloro-1-methyl-2-oxoquinolin-3-yl)methyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N2[C@H]3CS(=O)(=O)C[C@@H]3N(CC2=O)CCOC4=CC=C(C=C4)OC)C

DOS

IR

Vibrations