Geometry & MOs

Info

ID:	34020
PubChem CID:	7889453
Reduced:	S2O3N4C16H18 (1)
Stoich.:	A2B3C4D16E18 (1)
Weight, g/mol:	361.071883
ΔH_f, kcal/mol:	-75.8
Dipole, Da:	5.53
IP(EA), eV:	-9.27(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H]1C(=C(NC(=O)N1)CSC2=NC=NC3=C2C=CS3)C(=O)OCC

DOS

IR

Vibrations