Geometry & MOs

Info

ID:

423601

PubChem CID:

135119807

Reduced:

N2O7C29H36 (1)

Stoich.:

A2B7C29D36 (1)

Weight, g/mol:

571.260626

ΔHf, kcal/mol:

-239.14

Dipole, Da:

5.6

IP(EA), eV:

 -8.53(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(11R)-15-[(3,5-difluoro-4-methoxyphenyl)methyl]-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione

Drug info:

PubChemData

Smile

COC1=C(C=C2C3C4=CC=C(C=C4)OCCOCCN(CC(=O)N3CCC2=C1)C(=O)C5CCOCC5)OC

DOS

IR

Vibrations