Geometry & MOs

Info

ID:

322471

PubChem CID:

126670227

Reduced:

NO3C24H37 (1)

Stoich.:

AB3C24D37 (1)

Weight, g/mol:

766.416631

ΔHf, kcal/mol:

-178.09

Dipole, Da:

1.26

IP(EA), eV:

 -9.58(0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(2S)-1-[(2S)-2-[5-[(5E)-5-[1-[[amino-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]methylidene]amino]ethyl]-6-phenylocta-5,7-dien-1,3-diynyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(=O)O[C@H]1CC[C@@]2(C3CC[C@@]4([C@H](CCC4C3CCC2=C1)C(=O)C)C)C)N

DOS

IR

Vibrations