Geometry & MOs

Info

ID:

190509

PubChem CID:

78013748

Reduced:

FIN2O5C27H34 (1)

Stoich.:

ABC2D5E27F34 (1)

Weight, g/mol:

895.43317

ΔHf, kcal/mol:

-214.46

Dipole, Da:

4.28

IP(EA), eV:

 -9.43(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 11-acetyloxy-4-[16-(1,1-difluoroethyl)-12-methoxycarbonyl-6-pyridin-4-yl-1,10-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4(9),5,7-tetraen-12-yl]-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,6,13-triene-10-carboxylate

Drug info:

PubChemData

Smile

CCCCC(=O)N(CC1=CCC(C=C1)F)C2CC(=CC(C2O)OC3=CC=CC=C3I)C(=O)NCCO

DOS

IR

Vibrations