Geometry & MOs

Info

ID:

220111

PubChem CID:

85165254

Reduced:

N4O8C35H48 (1)

Stoich.:

A4B8C35D48 (1)

Weight, g/mol:

651.954987

ΔHf, kcal/mol:

-349.77

Dipole, Da:

7.18

IP(EA), eV:

 -9.28(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[6-hydroxy-5-(2-methoxyethoxymethoxy)-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene]-6-(2-methoxyethoxymethoxy)-5,6,7,8-tetrahydro-[1,3]dithiolo[4,5-b][1,4]dithiocin-7-ol

Drug info:

PubChemData

Smile

CCOC(=O)C=CC(CNC(=O)OC(C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(C)C)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations