Geometry & MOs

Info

ID:

379091

PubChem CID:

134352338

Reduced:

NH37C53 (1)

Stoich.:

AB37C53 (1)

Weight, g/mol:

906.294895

ΔHf, kcal/mol:

222.22

Dipole, Da:

0.56

IP(EA), eV:

 -7.95(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[(4-chloro-2-fluorophenyl)carbamoylamino]-3-(3-fluorophenyl)-N-[(3S,9S,13S,15R,19S,22S)-5-(methanesulfonamido)-15,19-dimethyl-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=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=C(C=C5)C6(C7=CC=CC=C7C8=CC=CC9=C8C6=CC=C9)C1=CC=CC=C1

DOS

IR

Vibrations