Geometry & MOs

Info

ID:

84952

PubChem CID:

49870900

Reduced:

O8C25H30 (1)

Stoich.:

A8B25C30 (1)

Weight, g/mol:

754.322731

ΔHf, kcal/mol:

-282.7

Dipole, Da:

5.19

IP(EA), eV:

 -8.37(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(1R)-2-[(2S)-2-[5-[4-[2-[2-[(2S)-1-[(2R)-2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]ethynyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(CC/C(=C(/C=C/CC[C@@]1(C(=C(C(=O)O1)O)C2=CC=C(C=C2)O)C(=O)OC)\O)/C=C)O

DOS

IR

Vibrations