Geometry & MOs

Info

ID:	218840
PubChem CID:	85090051
Reduced:	PN2O9C24H27 (1)
Stoich.:	AB2C9D24E27 (1)
Weight, g/mol:	516.139588
ΔH_f, kcal/mol:	-407.72
Dipole, Da:	7.23
IP(EA), eV:	-9.87(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4-methoxy-3-oxo-1H-2-benzofuran-1-yl)-(4-methoxyphenyl)methyl] 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC(C3=CC=CC=C3)C(=O)C4=CC=CC=C4)O

DOS

IR

Vibrations