Geometry & MOs

Info

ID:

421406

PubChem CID:

135115930

Reduced:

O2N3C18H27 (1)

Stoich.:

A2B3C18D27 (1)

Weight, g/mol:

704.389748

ΔHf, kcal/mol:

-95.78

Dipole, Da:

8.41

IP(EA), eV:

 -8.68(0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3S,6S,9R,12S,18S,20R)-9-benzyl-20-hydroxy-3-methyl-6-(2-methylpropyl)-2,5,8,11,17-pentaoxo-1,4,7,10,16-pentazabicyclo[16.3.0]henicosan-12-yl]-4-phenylbutanamide

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCO)C(=O)C23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations