Geometry & MOs

Info

ID:	121387
PubChem CID:	50765988
Reduced:	SO2N3C22H23 (1)
Stoich.:	AB2C3D22E23 (1)
Weight, g/mol:	417.172228
ΔH_f, kcal/mol:	-41.63
Dipole, Da:	5.05
IP(EA), eV:	-8.51(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2,4-dimethylphenyl)sulfonylamino]-2-(4-ethylpiperazin-1-yl)benzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2CC3CSCN3C24C5=CC=CC=C5NC4=O)C

DOS

IR

Vibrations