Geometry & MOs

Info

ID:	409550
PubChem CID:	135082332
Reduced:	AlS2Cl3N3O4F9C22H28 (1)
Stoich.:	AB2C3D3E4F9G22H28 (1)
Weight, g/mol:	249.9262
ΔH_f, kcal/mol:	-692.01
Dipole, Da:	11.29
IP(EA), eV:	-9.81(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

magnesium;N-methyl-N-(methylcarbamothioyl)carbamate;bromide

Drug info:

Smile

CC(C)[C@H]1CN(C[C@@H](N([Al](N1S(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C)S(=O)(=O)C(Cl)(Cl)Cl)C(C)C)CC(F)(F)F

DOS

IR

Vibrations