Geometry & MOs

Info

ID:

297104

PubChem CID:

117609017

Reduced:

F2O2N3C21H29 (1)

Stoich.:

A2B2C3D21E29 (1)

Weight, g/mol:

1156.536901

ΔHf, kcal/mol:

-175.71

Dipole, Da:

3.55

IP(EA), eV:

 -8.85(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[[(2S)-2-[[(2S)-2-[4-(3-amino-4-formylphenoxy)butanoylamino]-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methyl (3R,4R)-3-[[[(1R)-1-[4-(2,5-difluorophenyl)-1-[(3-fluorophenyl)methyl]imidazol-2-yl]-2,2-dimethylpropyl]-[(2R)-2-hydroxypropanoyl]amino]methyl]-4-fluoropyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2C=CC=NN2C(=C1C)C(C)C3CCN(CC3)CC(C)(F)F

DOS

IR

Vibrations