Geometry & MOs

Info

ID:

383057

PubChem CID:

134974560

Reduced:

N6O7H40C41 (1)

Stoich.:

A6B7C40D41 (1)

Weight, g/mol:

791.364262

ΔHf, kcal/mol:

-170.16

Dipole, Da:

2.63

IP(EA), eV:

 -8.52(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,5S)-5-[[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-1-pyridin-4-ylpyrrolidin-3-yl] 1-[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@@H]3C[C@H](CN3C4=CC=NC=C4)OC(=O)[C@H](CC5=CC6=CC=CC=C6N5)NC(=O)OCC7=CC=CC=C7

DOS

IR

Vibrations