Geometry & MOs

Info

ID:	140315
PubChem CID:	52681555
Reduced:	ClSO3N4C20H21 (1)
Stoich.:	ABC3D4E20F21 (1)
Weight, g/mol:	454.137142
ΔH_f, kcal/mol:	-48.68
Dipole, Da:	7.19
IP(EA), eV:	-9.08(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2R)-N-[(2R)-1-(1H-imidazol-3-ium-3-yl)propan-2-yl]-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanamide

Drug info:

PubChemData

Smile

C[C@@H](CN1C=CN=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations