Geometry & MOs

Info

ID:	34007
PubChem CID:	7889386
Reduced:	FS2O3N4H11C15 (1)
Stoich.:	AB2C3D4E11F15 (1)
Weight, g/mol:	361.071883
ΔH_f, kcal/mol:	-10.63
Dipole, Da:	8.63
IP(EA), eV:	-9.48(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])SC2=NC=NC3=C2C=CS3

DOS

IR

Vibrations