Geometry & MOs

Info

ID:	417962
PubChem CID:	135103179
Reduced:	ClFO2N4C18H24 (1)
Stoich.:	ABC2D4E18F24 (1)
Weight, g/mol:	364.091535
ΔH_f, kcal/mol:	-92.94
Dipole, Da:	5.21
IP(EA), eV:	-8.53(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[7-methylsulfanyl-2-oxo-3-(thiomorpholin-4-ylmethyl)quinolin-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCN(C)C)C(=O)C(C)OC2=C(C=C(C=C2)F)Cl

DOS

IR

Vibrations