Geometry & MOs

Info

ID:

299125

PubChem CID:

117671561

Reduced:

ON2C27H40 (1)

Stoich.:

AB2C27D40 (1)

Weight, g/mol:

865.556479

ΔHf, kcal/mol:

-28.37

Dipole, Da:

1.14

IP(EA), eV:

 -8.37(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[2-[2-(4-hydroxyphenyl)ethyl-methylamino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCOC1=C(C=C(C=C1)N=NC2=CC(=C(C=C2)C)C)C

DOS

IR

Vibrations