Geometry & MOs

Info

ID:	163920
PubChem CID:	74380822
Reduced:	FCl2O3N4C18H19 (1)
Stoich.:	AB2C3D4E18F19 (1)
Weight, g/mol:	510.162528
ΔH_f, kcal/mol:	-114.86
Dipole, Da:	5.07
IP(EA), eV:	-9.29(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

Drug info:

PubChemData

Smile

CN(CC1=CC=C(C=C1)F)C(=O)CNC2=C(C=C(C=N2)C=CC(=O)NO)Cl.Cl

DOS

IR

Vibrations