Geometry & MOs

Info

ID:	217737
PubChem CID:	85088297
Reduced:	ClNSO3C20H24 (1)
Stoich.:	ABCD3E20F24 (1)
Weight, g/mol:	393.073632
ΔH_f, kcal/mol:	-109.8
Dipole, Da:	5.68
IP(EA), eV:	-9.51(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-1,3-thiazol-2-yl)-3-cyclopentyl-2-(6-ethylsulfanylpyridin-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC2CC(CCC2Cl)OCC3=CC=CC=C3

DOS

IR

Vibrations