Geometry & MOs

Info

ID:	160906
PubChem CID:	57390195
Reduced:	N2O2Br4H8C11 (1)
Stoich.:	A2B2C4D8E11 (1)
Weight, g/mol:	358.068867
ΔH_f, kcal/mol:	-21.88
Dipole, Da:	6.4
IP(EA), eV:	-9.41(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-6-[(E)-2-carboxyethenyl]-2-(3,5-dihydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)CN1C=NC2=C1C(=C(C(=C2Br)Br)Br)Br

DOS

IR

Vibrations