Geometry & MOs

Info

ID:

298941

PubChem CID:

117664416

Reduced:

ON4C25H26 (1)

Stoich.:

AB4C25D26 (1)

Weight, g/mol:

749.42513

ΔHf, kcal/mol:

40.37

Dipole, Da:

4.13

IP(EA), eV:

 -8.54(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[[(1S,2S,4R,5R)-3-(2,3-dihydroxypropylamino)-5-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2,4,6-tris(phenylmethoxy)cyclohexyl]amino]acetate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C2=CC3=C(C=C2)NC=C3C4=CN=CC(=N4)OC5CCCNC5)C

DOS

IR

Vibrations