Geometry & MOs

Info

ID:

215220

PubChem CID:

85084383

Reduced:

N2S2O8C41H50 (1)

Stoich.:

A2B2C8D41E50 (1)

Weight, g/mol:

762.32435

ΔHf, kcal/mol:

-283.69

Dipole, Da:

5.86

IP(EA), eV:

 -9.4(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[10-(14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-4-yl)decyl]-9-methoxy-11-oxa-4-azoniatetracyclo[8.6.1.01,12.06,17]heptadeca-4,6(17),7,9,15-pentaen-14-ol;bromide

Drug info:

PubChemData

Smile

CCC(CC)(C(=O)NC(COS(=O)(=O)C)C(C)(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)NC(COS(=O)(=O)C)C(C)(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations