Geometry & MOs

Info

ID:

177145

PubChem CID:

76141282

Reduced:

N3O8C37H45 (1)

Stoich.:

A3B8C37D45 (1)

Weight, g/mol:

518.092991

ΔHf, kcal/mol:

-296.03

Dipole, Da:

3.58

IP(EA), eV:

 -8.87(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-N,7-dihydroxy-5-(4-methoxyphenyl)sulfonyl-2-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2,6-dicarboxamide

Drug info:

PubChemData

Smile

CCCCC(COC1=CC(=O)C(=C2NC(NC(=C3C=CC(=CC3=O)OCC(CCCC)OC(=O)C)N2)C4=CC=CC=C4)C=C1)OC(=O)C

DOS

IR

Vibrations