Geometry & MOs

Info

ID:

180839

PubChem CID:

76693066

Reduced:

SN3O6C23H29 (1)

Stoich.:

AB3C6D23E29 (1)

Weight, g/mol:

1042.526301

ΔHf, kcal/mol:

-223.61

Dipole, Da:

3.86

IP(EA), eV:

 -9.49(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-methyl-5-[5-methyl-6-[3-[2-[2-[3-[2-[methyl-[2-(2,3,7-trimethyl-6-oxoxanthen-9-yl)benzoyl]amino]ethoxycarbonylamino]propoxy]ethoxy]ethoxy]propylamino]-2-oxo-1,6-dihydropyrimidin-3-yl]oxolan-3-yl] 2-[2-(butylamino)-2-oxoethoxy]acetate

Drug info:

PubChemData

Smile

CCC=CCC(=O)CCCN1C(=O)CC(C1=O)SCC(C(=O)OC)NC(=O)C2=CN=CC=C2

DOS

IR

Vibrations