Geometry & MOs

Info

ID:	224384
PubChem CID:	85342337
Reduced:	FN2O3C23H23 (1)
Stoich.:	AB2C3D23E23 (1)
Weight, g/mol:	394.220283
ΔH_f, kcal/mol:	-102.62
Dipole, Da:	5.97
IP(EA), eV:	-8.43(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(2-hydroxypropoxy)-4,5-dimethoxy-6-(2-methylpropoxymethyl)oxan-2-yl]oxypropanoic acid

Drug info:

PubChemData

Smile

CC(C(C1=CC=CC=C1)O)N(C)C(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)F

DOS

IR

Vibrations