Geometry & MOs

Info

ID:

227777

PubChem CID:

87562463

Reduced:

N2S2O5C18H22 (1)

Stoich.:

A2B2C5D18E22 (1)

Weight, g/mol:

678.206524

ΔHf, kcal/mol:

-81.19

Dipole, Da:

2.63

IP(EA), eV:

 -8.99(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(4-fluorophenyl)-3-[6-[5-[1-(4-fluorophenyl)-3-oxopropyl]-1,6,7-trihydroxy-3-methylnaphthalen-2-yl]-2,3,5-trihydroxy-7-methylnaphthalen-1-yl]propanal

Drug info:

PubChemData

Smile

CC/C(=N\O)/C1=CC=CS1.CCOC(=O)C(=O)C(C)/C(=N/O)/C1=CC=CS1

DOS

IR

Vibrations