Geometry & MOs

Info

ID:	167536
PubChem CID:	74844506
Reduced:	S2N3O5C23H32 (1)
Stoich.:	A2B3C5D23E32 (1)
Weight, g/mol:	456.126303
ΔH_f, kcal/mol:	-167.16
Dipole, Da:	7.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.122961
Charge, e:	1

Chem-info

IUPAC name:

[1-(furan-2-yl)-2-[[2-methyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC=C(C=C2)N3C(=O)C(CS3(=O)=O)(C)C)[NH+](C)C

DOS

IR

Vibrations