Geometry & MOs

Info

ID:

329215

PubChem CID:

126732180

Reduced:

IN4O4C23H33 (1)

Stoich.:

AB4C4D23E33 (1)

Weight, g/mol:

830.457828

ΔHf, kcal/mol:

-150.24

Dipole, Da:

3.47

IP(EA), eV:

 -8.57(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8S,11S,14S)-3,18-bis(2-aminoethoxy)-14-[[(2S)-3-hydroxy-2-[[2-methyl-4-(3-methyloctyl)benzoyl]amino]propanoyl]-methylamino]-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-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC[C@H](C1)N2C3=C(C=CC(=C3CI)O[C@@H]4CCOC4)N=C2N

DOS

IR

Vibrations