Geometry & MOs

Info

ID:	50041
PubChem CID:	11538980
Reduced:	SN2O5C21H26 (1)
Stoich.:	AB2C5D21E26 (1)
Weight, g/mol:	418.073177
ΔH_f, kcal/mol:	-138.65
Dipole, Da:	1.26
IP(EA), eV:	-9.06(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=CSC(=N1)[C@@H]2C[C@H](ON2CC3=CC=CC=C3)[C@H]4COC(O4)(C)C

DOS

IR

Vibrations