Geometry & MOs

Info

ID:

322785

PubChem CID:

126671114

Reduced:

SN4O4C28H36 (1)

Stoich.:

AB4C4D28E36 (1)

Weight, g/mol:

705.342738

ΔHf, kcal/mol:

-108.87

Dipole, Da:

3.21

IP(EA), eV:

 -9.19(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[5-[3-(4-phenylphenyl)-4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]buta-1,3-diynyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)C3CC(CN3C(=O)C(C4=CC(=NO4)C(C)(C)C)C(C)C)O

DOS

IR

Vibrations