Geometry & MOs

Info

ID:

432665

PubChem CID:

135172801

Reduced:

FN3O3C25H26 (1)

Stoich.:

AB3C3D25E26 (1)

Weight, g/mol:

793.475642

ΔHf, kcal/mol:

-88.32

Dipole, Da:

6.11

IP(EA), eV:

-8.9(-0.56)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(2S)-N-[(2S)-1-[[(3R,4S,5S)-1-[(3S,5R)-3-[(1R,2R)-3-[[(2S)-3-(2-chlorophenyl)-1,1-dihydroxypropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]-1-methyl-2-azabicyclo[3.1.0]hexan-2-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(CC2C3=CC=CC=C3C4=CN=CN24)O)C(=O)COC5=CC=C(C=C5)F

DOS

IR

Vibrations