Geometry & MOs

Info

ID:	11
PubChem CID:	1944
Reduced:	SN2O5C19H22 (1)
Stoich.:	AB2C5D19E22 (1)
Weight, g/mol:	390.124943
ΔH_f, kcal/mol:	-188.29
Dipole, Da:	7.98
IP(EA), eV:	-9.48(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2,6-dimethyl-4-[[2-(2-methylphenyl)acetyl]amino]phenyl]sulfonylamino]acetic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)NC2=CC(=C(C(=C2)C)S(=O)(=O)NCC(=O)O)C

DOS

IR

Vibrations