Geometry & MOs

Info

ID:	140609
PubChem CID:	52729671
Reduced:	N2S2O3H16C17 (1)
Stoich.:	A2B2C3D16E17 (1)
Weight, g/mol:	344.192235
ΔH_f, kcal/mol:	-48.8
Dipole, Da:	2.98
IP(EA), eV:	-8.72(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-N-phenylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)C(=O)N(C2=CC=CC=C2)C3=NCCS3

DOS

IR

Vibrations