Geometry & MOs

Info

ID:

318894

PubChem CID:

126653636

Reduced:

NOC9H13 (4)

Stoich.:

ABC9D13 (4)

Weight, g/mol:

1117.725001

ΔHf, kcal/mol:

-208.3

Dipole, Da:

2.65

IP(EA), eV:

 -7.88(0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] 5-[[(2S)-1-[3-[[(2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S)-4-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3,5-dimethylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoyl]amino]propoxy]-1-oxopropan-2-yl]amino]-5-oxopentanoate

Drug info:

PubChemData

Smile

CC1C(C2=C(N1C(C)C)C=C(C(=C2)C3C(C(C3O)C4=CC5=C(C=C4NC(=O)C)N(C(C5(C)C)C)C(C)C)O)NC(=O)C)(C)C

DOS

IR

Vibrations