Geometry & MOs

Info

ID:	39898
PubChem CID:	8143162
Reduced:	ON2C11H16 (2)
Stoich.:	AB2C11D16 (2)
Weight, g/mol:	299.0286
ΔH_f, kcal/mol:	-72.11
Dipole, Da:	6.07
IP(EA), eV:	-9.13(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aR)-3-(4-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-one

Drug info:

PubChemData

Smile

CCCCN(CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)N3CCCCCCC3

DOS

IR

Vibrations