Geometry & MOs

Info

ID:	258412
PubChem CID:	103153506
Reduced:	SN3O7C10H13 (1)
Stoich.:	AB3C7D10E13 (1)
Weight, g/mol:	305.073322
ΔH_f, kcal/mol:	-170.99
Dipole, Da:	4.75
IP(EA), eV:	-10.48(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-fluoro-2-methylphenyl)sulfonylamino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNS(=O)(=O)C1=CN=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations