Geometry & MOs

Info

ID:	153773
PubChem CID:	56313084
Reduced:	FO2N6H23C27 (1)
Stoich.:	AB2C6D23E27 (1)
Weight, g/mol:	498.175933
ΔH_f, kcal/mol:	46.51
Dipole, Da:	6.21
IP(EA), eV:	-9.2(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-methylphenyl)sulfamoyl]-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=C(C(=N2)CCCNC(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F)C#N)N

DOS

IR

Vibrations