Geometry & MOs

Info

ID:	49298
PubChem CID:	11532711
Reduced:	FOSN4H25C26 (1)
Stoich.:	ABCD4E25F26 (1)
Weight, g/mol:	460.120128
ΔH_f, kcal/mol:	6.83
Dipole, Da:	1.12
IP(EA), eV:	-8.22(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(3-chloro-2-fluorophenyl)methyl]-1-[[(2-methoxy-2-methylpropanoyl)amino]methyl]-4-oxoquinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

CN1CCC(C1)N(C)C2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)C5=CC=C(C=C5)F

DOS

IR

Vibrations