Geometry & MOs

Info

ID:	357169
PubChem CID:	127293673
Reduced:	BrNSO5C13H16 (1)
Stoich.:	ABCD5E13F16 (1)
Weight, g/mol:	360.081364
ΔH_f, kcal/mol:	-167.4
Dipole, Da:	7.29
IP(EA), eV:	-8.86(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-cyclopropyl-3-N-methyl-3-N-(oxolan-3-yl)benzene-1,3-disulfonamide

Drug info:

PubChemData

Smile

CN(C1CCOC1)S(=O)(=O)C2=C(C=C3C(=C2)OCCO3)Br

DOS

IR

Vibrations