Geometry & MOs

Info

ID:	43186
PubChem CID:	10319245
Reduced:	ClON7H18C20 (1)
Stoich.:	ABC7D18E20 (1)
Weight, g/mol:	407.095807
ΔH_f, kcal/mol:	73.28
Dipole, Da:	3.52
IP(EA), eV:	-8.93(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (7R,8R,8aS)-7-(3-chlorophenyl)-5,8a-dimethyl-3-methylidene-7,8-dihydro-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate

Drug info:

PubChemData

Smile

C1CN(CCN1)C(=O)C2=CC(=CN2)C3=C(C4=C(N3)N=CC(=C4)Cl)C5=CN=CN=C5

DOS

IR

Vibrations