Geometry & MOs

Info

ID:	33998
PubChem CID:	7889343
Reduced:	OS2N3H15C16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	221.00814
ΔH_f, kcal/mol:	28.33
Dipole, Da:	4.16
IP(EA), eV:	-8.79(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanenitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)[C@@H](C)SC2=NC=NC3=C2C=CS3

DOS

IR

Vibrations