Geometry & MOs

Info

ID:	34024
PubChem CID:	7889470
Reduced:	OF2S2N3H9C14 (1)
Stoich.:	AB2C2D3E9F14 (1)
Weight, g/mol:	411.00336
ΔH_f, kcal/mol:	-41.34
Dipole, Da:	4.32
IP(EA), eV:	-9.26(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)NC(=O)CSC2=NC=NC3=C2C=CS3)F

DOS

IR

Vibrations