Geometry & MOs

Info

ID:	245210
PubChem CID:	99437896
Reduced:	SN3O3C24H25 (1)
Stoich.:	AB3C3D24E25 (1)
Weight, g/mol:	417.129317
ΔH_f, kcal/mol:	-60.23
Dipole, Da:	4.85
IP(EA), eV:	-8.47(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)SCCC(=O)NCC2=CC(=CC=C2)NC(=O)NC3=CC=CC=C3

DOS

IR

Vibrations