Geometry & MOs

Info

ID:	217976
PubChem CID:	85088680
Reduced:	SnO2C19H38 (1)
Stoich.:	AB2C19D38 (1)
Weight, g/mol:	416.03064
ΔH_f, kcal/mol:	-129.4
Dipole, Da:	1.47
IP(EA), eV:	-9.55(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-bromophenyl)methylideneamino]-2-(methylamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCCC[Sn](CCCC)(CCCC)C(=CC(=O)OC)CCC

DOS

IR

Vibrations