Geometry & MOs

Info

ID:	154741
PubChem CID:	56314257
Reduced:	FN3O3H26C28 (1)
Stoich.:	AB3C3D26E28 (1)
Weight, g/mol:	485.155532
ΔH_f, kcal/mol:	-48.79
Dipole, Da:	6.41
IP(EA), eV:	-8.28(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-methylphenyl)sulfamoyl]-N-[[2-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC=C2C3CCN(CC3)C(=O)/C=C/C4=CC(=C(C=C4)OC5=CN=CC=C5)F

DOS

IR

Vibrations