Geometry & MOs

Info

ID:	167535
PubChem CID:	74844290
Reduced:	NS2O4C16H24 (1)
Stoich.:	AB2C4D16E24 (1)
Weight, g/mol:	494.178338
ΔH_f, kcal/mol:	-142.12
Dipole, Da:	6.12
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754592
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)C2CS(=O)(=O)CC2[NH2+]C3CCCC3

DOS

IR

Vibrations