Geometry & MOs

Info

ID:	192337
PubChem CID:	78257517
Reduced:	SN3O3C16H23 (1)
Stoich.:	AB3C3D16E23 (1)
Weight, g/mol:	242.272199
ΔH_f, kcal/mol:	-100.77
Dipole, Da:	4.01
IP(EA), eV:	-9.44(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

2-(dimethylazaniumyl)ethyl-(2,6-dimethylhept-5-enyl)-ethylazanium

Drug info:

PubChemData

Smile

CCCCCOC(=O)CSC1NC(=O)C(NN1)C2=CC=CC=C2

DOS

IR

Vibrations