Geometry & MOs

Info

ID:	224138
PubChem CID:	85338630
Reduced:	ClSN3O10C32H52 (1)
Stoich.:	ABC3D10E32F52 (1)
Weight, g/mol:	705.00245
ΔH_f, kcal/mol:	-481.24
Dipole, Da:	4.19
IP(EA), eV:	-8.89(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	3

Chem-info

IUPAC name:

dizinc;methyl 4-[2-(3,4-dihydroxyphenyl)ethenyl]benzoate;chloride

Drug info:

PubChemData

Smile

CCC1C(C(CN(CCCCC(CC(C(C(=O)O1)C)O)OC2CC(CC(O2)C)N(C)C)C(=O)NS(=O)(=O)C3=CC=C(C=C3)Cl)O)(C)O

DOS

IR

Vibrations