Geometry & MOs

Info

ID:	34025
PubChem CID:	7889473
Reduced:	OCl2S2N3H15C17 (1)
Stoich.:	AB2C2D3E15F17 (1)
Weight, g/mol:	411.00336
ΔH_f, kcal/mol:	8.7
Dipole, Da:	3.87
IP(EA), eV:	-9.26(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations