Geometry & MOs

Info

ID:

181313

PubChem CID:

76729961

Reduced:

NC41H54 (2)

Stoich.:

AB41C54 (2)

Weight, g/mol:

1087.572917

ΔHf, kcal/mol:

-49.17

Dipole, Da:

0.34

IP(EA), eV:

 -7.26(0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2,15-dihydroxy-3,7,10,11,12,13,14,16,18,22-decamethyl-1'-(2-methylpropyl)-6,23,32-trioxospiro[8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(31),2,4,9,19,21,25,29-octaene-28,4'-piperidine]-17-yl] 5-[2-(propanoyloxymethoxycarbonylamino)acetyl]oxypentanoate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=C1C)C)N(C2=C(C(=C(C(=C2C)C)C)C)C)C3=C(C(=C(C(=C3C)C)C(=C(C)C4=C(C(=C(C(=C4C)C)C(=C(C)C5=C(C(=C(C(=C5C)C)N(C6=C(C(=C(C(=C6C)C)C)C)C)C7=C(C(=C(C(=C7C)C)C)C)C)C)C)C)C)C)C)C)C)C)C

DOS

IR

Vibrations