Geometry & MOs

Info

ID:

309346

PubChem CID:

126545561

Reduced:

N2O2F3C18H21 (1)

Stoich.:

A2B2C3D18E21 (1)

Weight, g/mol:

902.469061

ΔHf, kcal/mol:

-235.44

Dipole, Da:

5.84

IP(EA), eV:

 -9.14(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(1S)-2-[(2S,5S)-2-[5-[4-[4-[2-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-2-[(7S)-4-oxaspiro[2.5]octan-7-yl]acetyl]-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-5-methylpyrrolidin-1-yl]-1-[(7R)-4-oxaspiro[2.5]octan-7-yl]-2-oxoethyl]carbamate

Drug info:

PubChemData

Smile

CC1[C@H]2CC3(CC1CC(C2)(O3)NC(=O)NC4=C(C(=C(C=C4)F)F)F)C

DOS

IR

Vibrations