Geometry & MOs

Info

ID:	159142
PubChem CID:	57260827
Reduced:	F2N2O4C21H24 (1)
Stoich.:	A2B2C4D21E24 (1)
Weight, g/mol:	542.166471
ΔH_f, kcal/mol:	-224.2
Dipole, Da:	4.55
IP(EA), eV:	-10.13(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]oxyacetyl]oxy-(2-phenylphenyl)carbamic acid

Drug info:

PubChemData

Smile

CCCC(C(CC1COC(OC1)C2=CC=CC=C2C3=NC=C(C=N3)C(=O)O)F)F

DOS

IR

Vibrations