Geometry & MOs

Info

ID:	33993
PubChem CID:	7889317
Reduced:	N2S2O3H10C16 (1)
Stoich.:	A2B2C3D10E16 (1)
Weight, g/mol:	307.081305
ΔH_f, kcal/mol:	-25.36
Dipole, Da:	2.97
IP(EA), eV:	-9.26(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1O)OC(=O)C=C2CSC3=NC=NC4=C3C=CS4

DOS

IR

Vibrations