Geometry & MOs

Info

ID:	34005
PubChem CID:	7889366
Reduced:	O2S2N3H15C16 (1)
Stoich.:	A2B2C3D15E16 (1)
Weight, g/mol:	333.040583
ΔH_f, kcal/mol:	-3.07
Dipole, Da:	2.76
IP(EA), eV:	-8.79(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(4-fluorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC(=CC=C1)OC)SC2=NC=NC3=C2C=CS3

DOS

IR

Vibrations