Geometry & MOs

Info

ID:	232844
PubChem CID:	87577204
Reduced:	I2N2O2C13H22 (1)
Stoich.:	A2B2C2D13E22 (1)
Weight, g/mol:	493.095749
ΔH_f, kcal/mol:	-78.91
Dipole, Da:	3.08
IP(EA), eV:	-9.4(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-(6,8-dimethyl-7-oxido-5-oxo-6,8-dihydro-2,7-naphthyridin-4-yl)-N-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

CCC(C(C)I)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)I

DOS

IR

Vibrations