Geometry & MOs

Info

ID:	34008
PubChem CID:	7889396
Reduced:	FOS2N3H16C17 (1)
Stoich.:	ABC2D3E16F17 (1)
Weight, g/mol:	350.006281
ΔH_f, kcal/mol:	-18.94
Dipole, Da:	2.89
IP(EA), eV:	-9.17(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(5-chloropyridin-2-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCCC1=CC=C(C=C1)F)SC2=NC=NC3=C2C=CS3

DOS

IR

Vibrations