Geometry & MOs

Info

ID:

85240

PubChem CID:

49872791

Reduced:

NF3O4C27H28 (1)

Stoich.:

AB3C4D27E28 (1)

Weight, g/mol:

804.429913

ΔHf, kcal/mol:

-297.03

Dipole, Da:

6.08

IP(EA), eV:

 -8.48(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3S)-4-amino-3-[[(2S)-3-hydroxy-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoyl]amino]propanoyl]amino]-2-methyl-4-oxobutyl]-(7-phenylheptoxy)phosphinic acid

Drug info:

PubChemData

Smile

CC1(C2=C(CCO1)C3=C(N2)C=CC(=C3)OCC4=CC(=C(C=C4)C5CCCC5)C(F)(F)F)CC(=O)O

DOS

IR

Vibrations