Geometry & MOs

Info

ID:

438657

PubChem CID:

135228406

Reduced:

ClN3O11C35H48 (1)

Stoich.:

AB3C11D35E48 (1)

Weight, g/mol:

429.27399

ΔHf, kcal/mol:

-397.65

Dipole, Da:

10.18

IP(EA), eV:

 -9.25(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-N-[(4R)-1-(carbamoylamino)-6-methyl-5-oxononan-4-yl]-3-(1H-indol-3-yl)-2-(methylamino)propanamide

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)C[C@@H]([C@@]4(C1O4)C)OC(=O)[C@H](C)N(C)C(=O)CCO)C)\C)OC)(NC(=O)O2)O

DOS

IR

Vibrations