Geometry & MOs

Info

ID:	218528
PubChem CID:	85089575
Reduced:	O3C32H44 (1)
Stoich.:	A3B32C44 (1)
Weight, g/mol:	476.053288
ΔH_f, kcal/mol:	-141.98
Dipole, Da:	3.15
IP(EA), eV:	-8.65(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[3-(1-methylpyrrolidin-3-yl)oxy-4-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazole-4-sulfonamide

Drug info:

PubChemData

Smile

CCCCCCC(C)(C)C1=CC2=C(C3CC(CCC3C(O2)(C)C)C=O)C(=C1)OCC4=CC=CC=C4

DOS

IR

Vibrations