Geometry & MOs

Info

ID:	34258
PubChem CID:	7890543
Reduced:	SN2O6C19H24 (1)
Stoich.:	AB2C6D19E24 (1)
Weight, g/mol:	392.104208
ΔH_f, kcal/mol:	-214.83
Dipole, Da:	7.0
IP(EA), eV:	-8.68(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-methoxy-5-sulfamoylbenzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C(C)C)C)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC

DOS

IR

Vibrations