Geometry & MOs

Info

ID:	160105
PubChem CID:	57304737
Reduced:	BrClN2O2H16C18 (1)
Stoich.:	ABC2D2E16F18 (1)
Weight, g/mol:	312.120903
ΔH_f, kcal/mol:	-35.0
Dipole, Da:	4.94
IP(EA), eV:	-9.17(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2,3-dihydroxypropoxy)-2-(2,3-dihydroxypropyl)phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1C(C2=C(C=CC(=C2)Cl)N(C(=O)C1Br)CC(=O)N)C3=CC=CC=C3

DOS

IR

Vibrations