Geometry & MOs

Info

ID:

231379

PubChem CID:

87573587

Reduced:

NO4C16H23 (1)

Stoich.:

AB4C16D23 (1)

Weight, g/mol:

899.505781

ΔHf, kcal/mol:

-131.72

Dipole, Da:

2.19

IP(EA), eV:

 -9.76(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-1-[(2S)-2-[6-[(2R,5R)-5-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1-(4-phenylcyclohexyl)pyrrolidin-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)COC(C)ONC(=O)CCC1=CC=C(C=C1)C=O

DOS

IR

Vibrations