Geometry & MOs

Info

ID:	218128
PubChem CID:	85088917
Reduced:	FPN2O9C16H20 (1)
Stoich.:	ABC2D9E16F20 (1)
Weight, g/mol:	432.105647
ΔH_f, kcal/mol:	-478.71
Dipole, Da:	3.42
IP(EA), eV:	-9.82(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]-2-[(4-hydroxyphenyl)methyl]butanedioic acid

Drug info:

PubChemData

Smile

C1CN(C(=O)NC1=O)C2C(C(C(O2)CO)OP(=O)(O)OC3=CC=C(C=C3)CF)O

DOS

IR

Vibrations