Geometry & MOs

Info

ID:

379096

PubChem CID:

134352345

Reduced:

NH41C61 (1)

Stoich.:

AB41C61 (1)

Weight, g/mol:

848.403267

ΔHf, kcal/mol:

256.19

Dipole, Da:

0.7

IP(EA), eV:

 -8.08(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-3-(3,5-difluorophenyl)-2-[(1-methyl-2,3-dihydroindol-5-yl)carbamoylamino]-N-[(3S,9S,10S,13S,15R,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=CC=CC5=C4C2=CC=C5)C6=CC=CC(=C6)C7=CC=C(C=C7)N(C8=CC=C(C=C8)C9=CC=CC1=CC=CC=C19)C1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations