Geometry & MOs

Info

ID:

420589

PubChem CID:

135114130

Reduced:

ON6C22H34 (1)

Stoich.:

AB6C22D34 (1)

Weight, g/mol:

622.347883

ΔHf, kcal/mol:

-3.15

Dipole, Da:

3.07

IP(EA), eV:

 -8.04(0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2CCN(CC2)CC(=O)N(CCN(C)C)CC3=C(NC=N3)C

DOS

IR

Vibrations