Geometry & MOs

Info

ID:

420713

PubChem CID:

135114693

Reduced:

SN2O2C24H26 (1)

Stoich.:

AB2C2D24E26 (1)

Weight, g/mol:

716.389748

ΔHf, kcal/mol:

-40.32

Dipole, Da:

3.46

IP(EA), eV:

 -9.07(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,4S,7S,10R,16R,20S)-4-benzyl-20-hydroxy-14-[4-(1H-indol-3-yl)butanoyl]-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

C1C[C@@H]2CN(C[C@@H]2[C@](C1)(C3=CC=CC=C3)O)C(=O)CCC4=NC5=CC=CC=C5S4

DOS

IR

Vibrations