Geometry & MOs

Info

ID:	343773
PubChem CID:	127266949
Reduced:	OSN3C15H25 (1)
Stoich.:	ABC3D15E25 (1)
Weight, g/mol:	329.129694
ΔH_f, kcal/mol:	-36.84
Dipole, Da:	5.0
IP(EA), eV:	-9.46(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[ethyl(2-methylsulfonylethyl)amino]methyl]-3-methoxybenzoate

Drug info:

PubChemData

Smile

CCCC(C)NC(=O)C1CCCN(C1)CC2=CC=NS2

DOS

IR

Vibrations