Geometry & MOs

Info

ID:	171672
PubChem CID:	75412561
Reduced:	S2O3N6C22H30 (1)
Stoich.:	A2B3C6D22E30 (1)
Weight, g/mol:	383.076219
ΔH_f, kcal/mol:	-49.54
Dipole, Da:	10.11
IP(EA), eV:	-8.62(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=S)N4CCN(CC4)C)OCC)C

DOS

IR

Vibrations