Geometry & MOs

Info

ID:

390927

PubChem CID:

135001619

Reduced:

SN2H16C19 (1)

Stoich.:

AB2C16D19 (1)

Weight, g/mol:

602.255206

ΔHf, kcal/mol:

101.22

Dipole, Da:

2.33

IP(EA), eV:

 -8.49(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (1R,14E,18R,26S,29S)-26-tert-butyl-13,13-difluoro-24,27-dioxo-2,17,23-trioxa-4,11,25,28-tetrazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5,7,9,11,14-hexaene-29-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1/C(=C\SC2=NC=CC=N2)/C3=CC=CC=C3

DOS

IR

Vibrations