Geometry & MOs

Info

ID:	163767
PubChem CID:	74374194
Reduced:	BrNSO4F5H9C21 (1)
Stoich.:	ABCD4E5F9G21 (1)
Weight, g/mol:	326.115424
ΔH_f, kcal/mol:	-201.98
Dipole, Da:	3.9
IP(EA), eV:	-9.44(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methoxy-4-prop-2-enylphenyl) 3-(3,4-dihydroxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1SC(=CC2=CC(=C(C=C2)[N+](=O)[O-])O)C(=O)C3=C(C(=C(C(=C3F)F)F)F)F)Br

DOS

IR

Vibrations