Geometry & MOs

Info

ID:	133156
PubChem CID:	51485369
Reduced:	SN2O4C20H24 (1)
Stoich.:	AB2C4D20E24 (1)
Weight, g/mol:	358.140296
ΔH_f, kcal/mol:	-121.68
Dipole, Da:	5.65
IP(EA), eV:	-9.54(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1,3-benzodioxol-5-ylmethyl-ethyl-[2-(4-nitroanilino)-2-oxoethyl]azanium

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC=CC=N3)C

DOS

IR

Vibrations