Geometry & MOs

Info

ID:

191143

PubChem CID:

78110385

Reduced:

N4O15C49H78 (1)

Stoich.:

A4B15C49D78 (1)

Weight, g/mol:

950.443909

ΔHf, kcal/mol:

-610.8

Dipole, Da:

10.08

IP(EA), eV:

 -7.9(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[2-[2-[5-[4-[24-[2-(methoxycarbonylamino)-2-pyridin-2-ylacetyl]-12,21-dioxa-3,24,26-triazatetracyclo[20.2.1.12,5.06,11]hexacosa-2,4,6(11),7,9-pentaen-9-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-pyridin-2-ylethyl]carbamate

Drug info:

PubChemData

Smile

CCC1C2C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC3CC(C(C(O3)C)OC(=O)NNC(=O)C=CC4=CC=CC=C4OC)(C)C)C)OC5C(C(CC(O5)C)N(C)C)O)(C)O)C)C)C)OC(=O)O2

DOS

IR

Vibrations