Geometry & MOs

Info

ID:	32173
PubChem CID:	6435750
Reduced:	NO2S2C18H19 (1)
Stoich.:	AB2C2D18E19 (1)
Weight, g/mol:	330.073953
ΔH_f, kcal/mol:	9.56
Dipole, Da:	6.0
IP(EA), eV:	-8.55(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]benzoic acid

Drug info:

PubChemData

Smile

CCN(CC)C(=S)S/C(=C/C(=O)C1=CC=CO1)/C2=CC=CC=C2

DOS

IR

Vibrations