Geometry & MOs

Info

ID:	159097
PubChem CID:	57260151
Reduced:	NO2C8H10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	560.023211
ΔH_f, kcal/mol:	-76.09
Dipole, Da:	6.63
IP(EA), eV:	-9.31(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-chloro-4-(trifluoromethyl)phenoxy]-N-[(2,6-difluorobenzoyl)-methylcarbamoyl]anilino]sulfanylformic acid

Drug info:

PubChemData

Smile

CCCCCCOC(=O)CN1C=CC2=C1C=CC(=C2)[N+](=O)[O-]

DOS

IR

Vibrations