Geometry & MOs

Info

ID:	196318
PubChem CID:	78811256
Reduced:	O2S2N3C20H21 (1)
Stoich.:	A2B2C3D20E21 (1)
Weight, g/mol:	269.108565
ΔH_f, kcal/mol:	-34.86
Dipole, Da:	7.08
IP(EA), eV:	-9.1(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methylcyclohexyl) 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate

Drug info:

PubChemData

Smile

CC1=C(C(=O)NC(=C1CCC(=O)NC2=CC=CC(=C2)C3SCCS3)C)C#N

DOS

IR

Vibrations