Geometry & MOs

Info

ID:	147638
PubChem CID:	53787294
Reduced:	SN5O6C27H39 (1)
Stoich.:	AB5C6D27E39 (1)
Weight, g/mol:	344.119464
ΔH_f, kcal/mol:	-222.08
Dipole, Da:	4.42
IP(EA), eV:	-8.85(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(2,3-dimethoxyphenyl)ethenyl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-b]pyridin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)(C)C1CCN(C(C1)C(=O)O)C(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)C2=CC3=C(C=CC(=C3)OC)C=C2

DOS

IR

Vibrations