Geometry & MOs

Info

ID:	417346
PubChem CID:	135092517
Reduced:	ClNSO7C14H18 (1)
Stoich.:	ABCD7E14F18 (1)
Weight, g/mol:	375.098584
ΔH_f, kcal/mol:	-277.2
Dipole, Da:	10.4
IP(EA), eV:	-9.3(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-(7-chloro-4-oxo-1H-quinoline-3-carbonyl)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1Cl)OC)S(=O)(=O)N2CC[C@@H]([C@H](C2)C(=O)O)O

DOS

IR

Vibrations