Geometry & MOs

Info

ID:	11637
PubChem CID:	118390
Reduced:	NSO5C9H11 (1)
Stoich.:	ABC5D9E11 (1)
Weight, g/mol:	245.035794
ΔH_f, kcal/mol:	-175.43
Dipole, Da:	6.8
IP(EA), eV:	-9.98(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methoxy-5-sulfamoylbenzoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OC

DOS

IR

Vibrations