Geometry & MOs

Info

ID:	297722
PubChem CID:	117626862
Reduced:	SO3N5C22H23 (1)
Stoich.:	AB3C5D22E23 (1)
Weight, g/mol:	276.012412
ΔH_f, kcal/mol:	-40.74
Dipole, Da:	6.29
IP(EA), eV:	-9.12(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-benzyl-2-chloro-1H-thieno[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C1=CC2=C(S1)C(=O)N(C(=N2)N3CCC[C@H](C3)N)CC4=CC=CC=C4C#N)C(=O)O

DOS

IR

Vibrations