Geometry & MOs

Info

ID:

418121

PubChem CID:

135103611

Reduced:

OSN4C19H20 (1)

Stoich.:

ABC4D19E20 (1)

Weight, g/mol:

599.331899

ΔHf, kcal/mol:

61.21

Dipole, Da:

6.91

IP(EA), eV:

 -9.29(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,4S,7S,10R,16R,20S)-4-benzyl-14-(cyclopropanecarbonyl)-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

CC(=O)C1=CC(=CS1)CN2CCC3=NN=C(N3CC2)C4=CC=CC=C4

DOS

IR

Vibrations