Geometry & MOs

Info

ID:

299592

PubChem CID:

117688079

Reduced:

SN5O9C30H35 (1)

Stoich.:

AB5C9D30E35 (1)

Weight, g/mol:

788.400981

ΔHf, kcal/mol:

-263.94

Dipole, Da:

4.33

IP(EA), eV:

 -8.54(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-1-[(2S)-2-[5-[4-[2-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl]ethynyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-methylcarbamic acid

Drug info:

PubChemData

Smile

C1C(CN(C1CNC2=CC=CC=N2)OC(=O)OCC3=CC=CC=C3)OCC(=O)NCC(C(=O)O)NS(=O)(=O)CC4=CC=CC=C4

DOS

IR

Vibrations