Geometry & MOs

Info

ID:

320750

PubChem CID:

126663185

Reduced:

N3O4C20H34 (2)

Stoich.:

A3B4C20D34 (2)

Weight, g/mol:

1175.766866

ΔHf, kcal/mol:

-391.16

Dipole, Da:

6.2

IP(EA), eV:

 -9.05(-0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-(1-hydroxy-4,4-dimethylpentan-2-yl)oxy-2-methoxyethyl] 5-[[(2R)-1-[3-[[(2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoyl]amino]propoxy]-1-oxopropan-2-yl]amino]-5-oxopentanoate

Drug info:

PubChemData

Smile

CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(CC2=CC=CC=C2)C(=O)NCCCO)OC)OC)N(C)C(=O)CNC(=O)C(C(C)C)N(C)C

DOS

IR

Vibrations