Geometry & MOs

Info

ID:	145870
PubChem CID:	53605304
Reduced:	SO2N3C16H25 (1)
Stoich.:	AB2C3D16E25 (1)
Weight, g/mol:	313.103811
ΔH_f, kcal/mol:	-69.22
Dipole, Da:	5.99
IP(EA), eV:	-8.78(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[6-(trifluoromethyl)pyridin-2-yl]propanamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C(C)N1CCCN(CC1)C(=O)C2=CSC=C2

DOS

IR

Vibrations