Geometry & MOs

Info

ID:

379099

PubChem CID:

134352359

Reduced:

NSH35C53 (1)

Stoich.:

ABC35D53 (1)

Weight, g/mol:

839.366547

ΔHf, kcal/mol:

226.07

Dipole, Da:

1.26

IP(EA), eV:

 -8.04(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-3-(3,5-difluorophenyl)-2-[(4-ethylphenyl)carbamoylamino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-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=CC=C(C=C2)N(C3=CC=C(C=C3)C4(C5=CC=CC=C5C6=CC=CC7=C6C4=CC=C7)C8=CC=CC=C8)C9=CC1=C(C=C9)C2=CC=CC=C2S1

DOS

IR

Vibrations