Geometry & MOs

Info

ID:	27105
PubChem CID:	814316
Reduced:	SO2N3C18H23 (1)
Stoich.:	AB2C3D18E23 (1)
Weight, g/mol:	335.110376
ΔH_f, kcal/mol:	-63.92
Dipole, Da:	5.17
IP(EA), eV:	-8.46(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-ethyl-3-fluorobenzamide

Drug info:

PubChemData

Smile

CCN(CC(=O)NC1=NC(=C(S1)C)C)C(=O)CCC2=CC=CC=C2

DOS

IR

Vibrations