Geometry & MOs

Info

ID:	33989
PubChem CID:	7889305
Reduced:	OS2N3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	328.070405
ΔH_f, kcal/mol:	33.42
Dipole, Da:	2.39
IP(EA), eV:	-8.93(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(2,5-dimethylphenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropan-1-one

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCC2=CC=CC=C2C1)SC3=NC=NC4=C3C=CS4

DOS

IR

Vibrations