Geometry & MOs

Info

ID:	33997
PubChem CID:	7889340
Reduced:	NOSH7C8 (2)
Stoich.:	ABCD7E8 (2)
Weight, g/mol:	329.065654
ΔH_f, kcal/mol:	-6.7
Dipole, Da:	0.71
IP(EA), eV:	-9.09(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(3-methylphenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations