Geometry & MOs

Info

ID:

438607

PubChem CID:

135228351

Reduced:

NO11C27H29 (1)

Stoich.:

AB11C27D29 (1)

Weight, g/mol:

401.24269

ΔHf, kcal/mol:

-411.11

Dipole, Da:

3.49

IP(EA), eV:

 -8.92(-1.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O

DOS

IR

Vibrations