Geometry & MOs

Info

ID:	171762
PubChem CID:	75423304
Reduced:	SO2N3C17H29 (1)
Stoich.:	AB2C3D17E29 (1)
Weight, g/mol:	315.115381
ΔH_f, kcal/mol:	-105.79
Dipole, Da:	3.22
IP(EA), eV:	-9.25(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methyl-1,3-thiazol-2-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C(C)(C)NCC2CCN(C2)C(=O)OC(C)(C)C

DOS

IR

Vibrations