Geometry & MOs

Info

ID:

82120

PubChem CID:

49855643

Reduced:

PSF3O10C14H24 (1)

Stoich.:

ABC3D10E14F24 (1)

Weight, g/mol:

879.374432

ΔHf, kcal/mol:

-671.06

Dipole, Da:

4.32

IP(EA), eV:

 -10.8(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(1R)-2-[(2S)-2-[6-[6-[2-[(2R)-1-[2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]naphthalen-2-yl]-1H-indol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OCOP(=O)(COS(=O)(=O)C(F)(F)F)OCOC(=O)C(C)(C)C

DOS

IR

Vibrations