Geometry & MOs

Info

ID:

379116

PubChem CID:

134352434

Reduced:

O10C29H33 (2)

Stoich.:

A10B29C33 (2)

Weight, g/mol:

783.37041

ΔHf, kcal/mol:

-819.13

Dipole, Da:

3.89

IP(EA), eV:

 -8.93(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-(3H-benzimidazol-5-ylcarbamoylamino)-N-[(3S,9S,13S,15R,19S,22S)-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]-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC(COC(=O)C=C)OC(=O)CCC(=O)OCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)C(=O)OC3=CC=C(C=C3)OC(=O)C4CCC(CC4)C(=O)OC5=CC=C(C=C5)CCOC(=O)CCC(=O)OC(C)COC(=O)C=C

DOS

IR

Vibrations