Geometry & MOs

Info

ID:

298864

PubChem CID:

117661956

Reduced:

O6N7C40H43 (1)

Stoich.:

A6B7C40D43 (1)

Weight, g/mol:

850.323874

ΔHf, kcal/mol:

-171.13

Dipole, Da:

5.9

IP(EA), eV:

 -8.8(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R)-2-[(2S)-2-[5-[3-fluoro-4-[5-[2-[(2S)-1-[(2R)-2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-1-benzofuran-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H](C1=CC=CC=C1)C(=O)N2CCC[C@@H]2C(=O)NC3=CC4=C(C=C3)NC(=C4)C5=CC=C(C=C5)C6=CN=C(N6)[C@@H]7CCCN7C(=O)O

DOS

IR

Vibrations