Geometry & MOs

Info

ID:	139439
PubChem CID:	52531165
Reduced:	NSO6H14C16 (1)
Stoich.:	ABC6D14E16 (1)
Weight, g/mol:	373.965674
ΔH_f, kcal/mol:	-171.62
Dipole, Da:	5.33
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.929293
Charge, e:	-1

Chem-info

IUPAC name:

3-[(2,4-dichlorophenyl)sulfamoyl]-2-hydroxy-5-methylbenzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)S(=O)(=O)N2CCOC3=CC=CC=C32)O)C(=O)[O-]

DOS

IR

Vibrations