Geometry & MOs

Info

ID:

423134

PubChem CID:

135118983

Reduced:

O3N4C18H24 (1)

Stoich.:

A3B4C18D24 (1)

Weight, g/mol:

668.353363

ΔHf, kcal/mol:

-80.02

Dipole, Da:

5.19

IP(EA), eV:

 -9.13(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,4S,7S,10R,16R,20S)-4-benzyl-14-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-20-hydroxy-7,8-dimethyl-10-(2-methylpropyl)-17-oxa-2,5,8,11,14-pentazabicyclo[14.3.1]icosane-3,6,9,12-tetrone

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCO)C(=O)C2=CC=CC=C2N3CCOCC3

DOS

IR

Vibrations