Geometry & MOs

Info

ID:	188892
PubChem CID:	77779902
Reduced:	ClFN3O4H17C21 (1)
Stoich.:	ABC3D4E17F21 (1)
Weight, g/mol:	340.115818
ΔH_f, kcal/mol:	-163.26
Dipole, Da:	3.07
IP(EA), eV:	-8.88(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)C=C3C4=C(C=CC(=C4)Cl)NC3=O)F

DOS

IR

Vibrations