Geometry & MOs

Info

ID:	124663
PubChem CID:	50891463
Reduced:	FNSO5C16H16 (1)
Stoich.:	ABCD5E16F16 (1)
Weight, g/mol:	367.088972
ΔH_f, kcal/mol:	-206.77
Dipole, Da:	5.61
IP(EA), eV:	-9.02(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(N-(4-fluorophenyl)sulfonyl-3-methoxyanilino)butanoic acid

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N(CCC(=O)O)S(=O)(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations