Geometry & MOs

Info

ID:	214605
PubChem CID:	85083266
Reduced:	S2N5O6C25H27 (1)
Stoich.:	A2B5C6D25E27 (1)
Weight, g/mol:	558.116212
ΔH_f, kcal/mol:	-168.23
Dipole, Da:	6.96
IP(EA), eV:	-9.15(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[2-(4-hydroxyphenyl)ethenyl]-5-[3-(3,4,5-trihydroxyphenyl)prop-2-enoyloxy]phenyl] 3,4,5-trihydroxybenzoate

Drug info:

PubChemData

Smile

CC(C)(CNS(=O)(=O)C1=CC2=C(C=C1)SCC(=O)N2)CN3CC(OC3=O)C4=C5C(=NC=C4)C=CC(=N5)OC

DOS

IR

Vibrations