Geometry & MOs

Info

ID:	33994
PubChem CID:	7889320
Reduced:	OS2N3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	307.081305
ΔH_f, kcal/mol:	-3.92
Dipole, Da:	5.1
IP(EA), eV:	-9.18(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1CCCC1)SC2=NC=NC3=C2C=CS3

DOS

IR

Vibrations