Geometry & MOs

Info

ID:	153985
PubChem CID:	56313343
Reduced:	F2N3O3H23C26 (1)
Stoich.:	A2B3C3D23E26 (1)
Weight, g/mol:	437.107913
ΔH_f, kcal/mol:	-114.69
Dipole, Da:	6.02
IP(EA), eV:	-9.34(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-N-(4-methylphenyl)thiophene-3-sulfonamide

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F)C(=O)C4=CC=CC=C4F

DOS

IR

Vibrations