Geometry & MOs

Info

ID:	438540
PubChem CID:	135228283
Reduced:	ON6H20C23 (1)
Stoich.:	AB6C20D23 (1)
Weight, g/mol:	401.24269
ΔH_f, kcal/mol:	147.98
Dipole, Da:	9.65
IP(EA), eV:	-8.64(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=C2CC3=C(N=CN3C4=C(N2N1)C=C(C=C4)OC)C#N)/C=C/C5=CC=CC=C5

DOS

IR

Vibrations