Geometry & MOs

Info

ID:	133493
PubChem CID:	51535660
Reduced:	OSN3H23C24 (1)
Stoich.:	ABC3D23E24 (1)
Weight, g/mol:	326.174276
ΔH_f, kcal/mol:	45.52
Dipole, Da:	5.92
IP(EA), eV:	-8.75(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[2-(1H-indol-3-yl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2N1CCNC(=O)[C@H](C3=CC=CC=C3)SC4=CC=CC=C4

DOS

IR

Vibrations