Geometry & MOs

Info

ID:

326588

PubChem CID:

126687832

Reduced:

N2O3C12H22 (1)

Stoich.:

A2B3C12D22 (1)

Weight, g/mol:

1104.647085

ΔHf, kcal/mol:

-158.33

Dipole, Da:

2.51

IP(EA), eV:

 -9.46(0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methylpropyl (2S)-1-[(2S)-2-[[(8S,11S,14S)-14-[[2-[[(2R)-2-[[(2R)-2-[hexadecanoyl(methyl)amino]-3-hydroxypropanoyl]amino]propanoyl]amino]acetyl]-methylamino]-3,18-dihydroxy-11-methyl-10,13-dioxo-9,12-diazatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCC[C@H]1C(=O)OCC(C)C)N

DOS

IR

Vibrations