Geometry & MOs

Info

ID:	297691
PubChem CID:	117625824
Reduced:	N4O7C40H54 (1)
Stoich.:	A4B7C40D54 (1)
Weight, g/mol:	348.052841
ΔH_f, kcal/mol:	-276.26
Dipole, Da:	7.15
IP(EA), eV:	-8.8(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(methylsulfamoyl)-2,1,3-benzoxadiazol-7-yl]amino]benzoic acid

Drug info:

PubChemData

Smile

CCCCCC1=C(C2=CC=CC=C2N=C1O[C@@H]3C[C@H](N(C3)C(=O)[C@H](C4CC5=CC=CC=C5C4)NC(=O)OCCC)C(=O)OC)OCCCN(C)C

DOS

IR

Vibrations