Geometry & MOs

Info

ID:	401789
PubChem CID:	135052597
Reduced:	ClOSeN2C8H9 (1)
Stoich.:	ABCD2E8F9 (1)
Weight, g/mol:	292.124549
ΔH_f, kcal/mol:	26.25
Dipole, Da:	8.14
IP(EA), eV:	-7.65(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-(2,2-dimethylpropanoyl)-N'-(4-methylbenzoyl)carbamimidothioate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)[NH3+])[Se]C#N.[Cl-]

DOS

IR

Vibrations