Geometry & MOs

Info

ID:	227113
PubChem CID:	87560216
Reduced:	SnO4C26H32 (1)
Stoich.:	AB4C26D32 (1)
Weight, g/mol:	503.171971
ΔH_f, kcal/mol:	-52.82
Dipole, Da:	2.6
IP(EA), eV:	-6.15(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-[[benzyl(ethyl)carbamoyl]oxymethyl]-4-fluoro-3-phenyl-6-(trifluoromethyl)phenyl]acetate

Drug info:

PubChemData

Smile

CCCC/C(=C(\CCCC)/C(=O)OCC1=CC=CC=C1)/C(=O)OCC2=CC=CC=C2.[Sn]

DOS

IR

Vibrations