Geometry & MOs

Info

ID:

379067

PubChem CID:

134352219

Reduced:

N3O3C29H33 (1)

Stoich.:

A3B3C29D33 (1)

Weight, g/mol:

855.361462

ΔHf, kcal/mol:

-81.43

Dipole, Da:

3.48

IP(EA), eV:

 -8.19(0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-1-[(2S,3S)-2-[[(2S)-2-(1,3-benzodioxol-5-ylcarbamoylamino)-3-(3,5-difluorophenyl)propanoyl]amino]-3-hydroxybutanoyl]-N-[(2S,3S)-3-hydroxy-1-[[(2S)-1-[(3S,6S)-6-methyl-2-oxo-4-azaspiro[2.4]heptan-4-yl]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]-N-methylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C1CC(NCC2)C(=O)NC3CCNC4=C3C=C(C=C4)CC5=CC=C(C=C5)OC)O

DOS

IR

Vibrations