Geometry & MOs

Info

ID:

232861

PubChem CID:

87577272

Reduced:

ClS2N3F5O11C32H37 (1)

Stoich.:

AB2C3D5E11F32G37 (1)

Weight, g/mol:

576.294785

ΔHf, kcal/mol:

-564.57

Dipole, Da:

9.7

IP(EA), eV:

 -9.06(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

hydroxy-[(5S)-5-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-6-phenyl-1-(4-pyridin-4-ylphenyl)hexan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC1(CC(=NO1)S(=O)(=O)CC2=C(N(N=C2C(F)(F)F)C)OC(F)F)C.CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl)COCC3CCCO3

DOS

IR

Vibrations