Geometry & MOs

Info

ID:	171613
PubChem CID:	75404224
Reduced:	OS2N3C17H21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	313.088498
ΔH_f, kcal/mol:	-5.54
Dipole, Da:	3.68
IP(EA), eV:	-8.64(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-cyano-2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(N=C(N1)SCC(=O)N2CCSCC2)CC3=CC=CC=C3

DOS

IR

Vibrations