Geometry & MOs

Info

ID:

436392

PubChem CID:

135199747

Reduced:

N4O7C21H34 (1)

Stoich.:

A4B7C21D34 (1)

Weight, g/mol:

1087.390113

ΔHf, kcal/mol:

-294.13

Dipole, Da:

7.97

IP(EA), eV:

 -9.82(-1.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[8-[(4',5'-dichloro-3',6'-dihydroxy-2',7'-dimethoxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carbonyl)amino]octylcarbamoyl]cyclohexyl]-1-[2-(N,3-diethylanilino)-2-oxoethyl]indole-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=O)N(C1=O)CCC(=O)NCCOCCOCCC(=O)NCCCCCCNC=O

DOS

IR

Vibrations