Geometry & MOs

Info

ID:	258414
PubChem CID:	103153588
Reduced:	FSN2O5C12H13 (1)
Stoich.:	ABC2D5E12F13 (1)
Weight, g/mol:	364.99326
ΔH_f, kcal/mol:	-192.6
Dipole, Da:	8.35
IP(EA), eV:	-10.2(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-bromo-3-methylphenyl)sulfonylamino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNS(=O)(=O)C1=CC=CC(=C1C#N)F

DOS

IR

Vibrations