Geometry & MOs

Info

ID:

422143

PubChem CID:

135117288

Reduced:

N3O4C25H29 (1)

Stoich.:

A3B4C25D29 (1)

Weight, g/mol:

644.353363

ΔHf, kcal/mol:

-57.83

Dipole, Da:

6.4

IP(EA), eV:

 -8.88(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3R,6S,9S,12S,19S)-3-benzyl-9-ethyl-6-[(1R)-1-hydroxyethyl]-2,5,8,11,18-pentaoxo-1,4,7,10,17-pentazabicyclo[17.3.0]docosan-12-yl]-3-methoxypropanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCCCN(C)C(=O)C2=C(ON=C2N3CCOCC3)C4=CC=CC=C4

DOS

IR

Vibrations