Geometry & MOs

Info

ID:	342919
PubChem CID:	127266082
Reduced:	NSO6C15H17 (1)
Stoich.:	ABC6D15E17 (1)
Weight, g/mol:	341.129694
ΔH_f, kcal/mol:	-197.29
Dipole, Da:	7.24
IP(EA), eV:	-9.38(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-[(1-ethylcyclopropyl)methylsulfamoyl]-5-methoxyphenyl]acetate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)S(=O)(=O)NCC2=COC=C2)CC(=O)OC

DOS

IR

Vibrations