Geometry & MOs

Info

ID:	192618
PubChem CID:	78291760
Reduced:	ClN2O4C20H29 (1)
Stoich.:	AB2C4D20E29 (1)
Weight, g/mol:	198.028541
ΔH_f, kcal/mol:	-162.5
Dipole, Da:	6.96
IP(EA), eV:	-8.0(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-thiophen-2-yl-1,3-diazinane-2-thione

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C[NH+]=C2C=C1)C(C3CC4CCN3CC4C=C)O.O.O.[Cl-]

DOS

IR

Vibrations