Geometry & MOs

Info

ID:	189708
PubChem CID:	77893251
Reduced:	SCl2O3N4C20H24 (1)
Stoich.:	AB2C3D4E20F24 (1)
Weight, g/mol:	431.13042
ΔH_f, kcal/mol:	-112.93
Dipole, Da:	4.61
IP(EA), eV:	-8.78(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-hydroxy-1,8-dimethyl-2-oxo-6-(oxolan-3-yl)-7-(trifluoromethyl)-8aH-1,8-naphthyridine-3-carbonyl]amino]acetic acid

Drug info:

PubChemData

Smile

CCC1=CSC(C1Cl)C(=O)NC2CCCCC2NC(=O)C(=O)NC3=NC=C(C=C3)Cl

DOS

IR

Vibrations