Geometry & MOs

Info

ID:	124664
PubChem CID:	50891464
Reduced:	FNSO5C17H18 (1)
Stoich.:	ABCD5E17F18 (1)
Weight, g/mol:	394.083472
ΔH_f, kcal/mol:	-212.93
Dipole, Da:	5.33
IP(EA), eV:	-9.03(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methoxy-N-(3-nitrophenyl)sulfonylanilino)butanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations