Geometry & MOs

Info

ID:	249414
PubChem CID:	103089271
Reduced:	NSO2C11H23 (1)
Stoich.:	ABC2D11E23 (1)
Weight, g/mol:	357.000463
ΔH_f, kcal/mol:	-115.94
Dipole, Da:	3.7
IP(EA), eV:	-8.6(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2,4-dichloro-3-fluorophenyl)sulfonyl-propylamino]acetate

Drug info:

PubChemData

Smile

CCCNC(CCCSC)C(=O)OCC

DOS

IR

Vibrations