Geometry & MOs

Info

ID:	121395
PubChem CID:	50766508
Reduced:	SN2O6C25H32 (1)
Stoich.:	AB2C6D25E32 (1)
Weight, g/mol:	495.182792
ΔH_f, kcal/mol:	-235.71
Dipole, Da:	5.66
IP(EA), eV:	-8.31(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-methoxyphenyl)sulfonylamino]-2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]benzoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C(=O)O

DOS

IR

Vibrations