Geometry & MOs

Info

ID:

322958

PubChem CID:

126671646

Reduced:

ON7C17H21 (1)

Stoich.:

AB7C17D21 (1)

Weight, g/mol:

1118.499231

ΔHf, kcal/mol:

109.71

Dipole, Da:

6.64

IP(EA), eV:

 -8.14(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-1-[2-[[2-[3-[2-[3-[4-[[2-[7-(4-chlorophenyl)-4,5,13-trimethyl-1,3,8,11,12-pentazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]phenoxy]propoxymethoxy]ethoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C/C=C/1\C(=C/N=CC)\N=C(N1CCOC)C2=CN3C(=NN=C3C=N2)C

DOS

IR

Vibrations