Geometry & MOs

Info

ID:	297705
PubChem CID:	117626443
Reduced:	NOC14H14 (2)
Stoich.:	ABC14D14 (2)
Weight, g/mol:	421.130757
ΔH_f, kcal/mol:	-7.13
Dipole, Da:	7.66
IP(EA), eV:	-8.82(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-aminoacetyl)sulfamoyl]-5-(butylamino)-4-phenoxybenzoic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1C3=CC=C(C=C3)CN4CCNCC4)C)C(=CC(=O)O2)C5=CC=CC=C5

DOS

IR

Vibrations