Geometry & MOs

Info

ID:	138601
PubChem CID:	52392218
Reduced:	SN3O3C20H34 (1)
Stoich.:	AB3C3D20E34 (1)
Weight, g/mol:	368.128017
ΔH_f, kcal/mol:	-86.54
Dipole, Da:	9.6
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.770188
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[2-[(5-methylfuran-2-yl)methyl-(4-nitrophenyl)sulfonylamino]ethyl]azanium

Drug info:

PubChemData

Smile

COC1=CC=CC=C1[C@H](CNS(=O)(=O)N2CCCCCC2)[NH+]3CCCCC3

DOS

IR

Vibrations