Geometry & MOs

Info

ID:

45279

PubChem CID:

10510531

Reduced:

ON6C84H98 (1)

Stoich.:

AB6C84D98 (1)

Weight, g/mol:

1207.660063

ΔHf, kcal/mol:

148.52

Dipole, Da:

10.41

IP(EA), eV:

 -7.91(-1.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R)-2-[[(2S)-1-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-(2-methylbut-3-en-2-yloxy)butanoyl]amino]-3-(2-methylbut-3-en-2-yloxy)propanoyl]amino]-3-methylpentanoate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC(=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C6=NC(=NC6=C(N5)C(=C7C=CC2=N7)C8=CC(=CC(=C8)C(C)(C)C)C(C)(C)C)C9=CC=C(C=C9)C=O)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)N3)C(C)(C)C

DOS

IR

Vibrations