Geometry & MOs

Info

ID:	64668
PubChem CID:	29203828
Reduced:	BrSN2O3H19C20 (1)
Stoich.:	ABC2D3E19F20 (1)
Weight, g/mol:	470.114772
ΔH_f, kcal/mol:	-23.97
Dipole, Da:	1.6
IP(EA), eV:	-9.04(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)OCC2=NN=C(O2)S[C@H](C)C(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations