Geometry & MOs

Info

ID:	382618
PubChem CID:	134973883
Reduced:	CrNO6H15C16 (1)
Stoich.:	ABC6D15E16 (1)
Weight, g/mol:	316.088164
ΔH_f, kcal/mol:	-204.06
Dipole, Da:	6.66
IP(EA), eV:	-7.94(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R)-6-(methylamino)-5-oxo-8-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C(=[Cr])N(C)C)C)O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]

DOS

IR

Vibrations