Geometry & MOs

Info

ID:	64595
PubChem CID:	29203142
Reduced:	SN3O4C17H23 (1)
Stoich.:	AB3C4D17E23 (1)
Weight, g/mol:	482.088261
ΔH_f, kcal/mol:	-159.91
Dipole, Da:	3.91
IP(EA), eV:	-8.78(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-carbamoyl-2-[5-(4-fluorophenyl)-6-methyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylpropanamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)NCCCN3CCCC3=O

DOS

IR

Vibrations