Geometry & MOs

Info

ID:	245425
PubChem CID:	99444633
Reduced:	SO3N5C23H23 (1)
Stoich.:	AB3C5D23E23 (1)
Weight, g/mol:	408.111934
ΔH_f, kcal/mol:	-3.57
Dipole, Da:	5.39
IP(EA), eV:	-9.38(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

Drug info:

PubChemData

Smile

CCN1C2=C(C=N1)C(=CC(=N2)C3=CC=CC=C3)C(=O)NCC4=CC=C(C=C4)S(=O)(=O)NC

DOS

IR

Vibrations