Geometry & MOs

Info

ID:

215722

PubChem CID:

85085149

Reduced:

O7C15H23 (4)

Stoich.:

A7B15C23 (4)

Weight, g/mol:

1262.741379

ΔHf, kcal/mol:

-1271.64

Dipole, Da:

5.93

IP(EA), eV:

 -9.57(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-[[1-[2-[[[1-[4-amino-3-[[2-[[1-(2-hydroxypropanoyl)pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoyl]amino]-4-oxobutan-2-yl]oxy-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-methylamino]methyl]pyrrolidin-1-yl]-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]-2,5-dimethyl-4,6-dioxohexan-3-yl] 3-hydroxy-4,5-dimethylheptanoate

Drug info:

PubChemData

Smile

CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)COC(=O)C)O

DOS

IR

Vibrations