Geometry & MOs

Info

ID:	438563
PubChem CID:	135228307
Reduced:	OF3N6H17C24 (1)
Stoich.:	AB3C6D17E24 (1)
Weight, g/mol:	401.24269
ΔH_f, kcal/mol:	22.49
Dipole, Da:	8.92
IP(EA), eV:	-8.86(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C#CC1=CC2=C(C=C1)N3C=NC(=C3CN4C2=NNC4COCC5=CC=CC=C5C(F)(F)F)C#N

DOS

IR

Vibrations