Geometry & MOs

Info

ID:	34283
PubChem CID:	7890619
Reduced:	SN2O6C20H20 (1)
Stoich.:	AB2C6D20E20 (1)
Weight, g/mol:	407.103873
ΔH_f, kcal/mol:	-178.33
Dipole, Da:	8.14
IP(EA), eV:	-8.65(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-acetyl-2-ethoxyphenyl)methyl 2-methoxy-5-sulfamoylbenzoate

Drug info:

PubChemData

Smile

CCC1=C2C(=CC=C1)C(=CN2)C(=O)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)N)OC

DOS

IR

Vibrations