Geometry & MOs

Info

ID:	34291
PubChem CID:	7890637
Reduced:	SN2O6C18H20 (1)
Stoich.:	AB2C6D18E20 (1)
Weight, g/mol:	377.093309
ΔH_f, kcal/mol:	-189.47
Dipole, Da:	8.48
IP(EA), eV:	-8.75(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)N(C)C1=CC=CC=C1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC

DOS

IR

Vibrations