Geometry & MOs

Info

ID:	56511
PubChem CID:	17436006
Reduced:	ON6C21H24 (1)
Stoich.:	AB6C21D24 (1)
Weight, g/mol:	444.063606
ΔH_f, kcal/mol:	78.2
Dipole, Da:	4.0
IP(EA), eV:	-8.01(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]-N-prop-2-enyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)C(CC3=CC=CC=C3)N4C=NN=N4

DOS

IR

Vibrations