Geometry & MOs

Info

ID:

125207

PubChem CID:

50915080

Reduced:

O4N5H19C25 (1)

Stoich.:

A4B5C19D25 (1)

Weight, g/mol:

620.383875

ΔHf, kcal/mol:

10.72

Dipole, Da:

7.54

IP(EA), eV:

 -8.07(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-cyclohexyl-1-[(2S)-2-[5-[4-[2-[2-[(2S)-1-(2-cyclohexyl-2-oxoethyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]ethynyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NC2=NNC3=C2C=C(C=C3)NC4=C(C(=O)C4=O)NCC5=CC(=CC=C5)O

DOS

IR

Vibrations