Geometry & MOs

Info

ID:	229603
PubChem CID:	87568130
Reduced:	ClFSN3O4C28H35 (1)
Stoich.:	ABCD3E4F28G35 (1)
Weight, g/mol:	468.178418
ΔH_f, kcal/mol:	-163.81
Dipole, Da:	3.4
IP(EA), eV:	-8.82(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4E,6E)-5-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]hepta-4,6-dienoate

Drug info:

PubChemData

Smile

CCOC(=O)CCCN1C=CC(=N1)/C=C\2/CN(CCC2SC(=O)C)C(C3=CC=CC=C3F)C(=O)C4CC4.Cl

DOS

IR

Vibrations