Geometry & MOs

Info

ID:	132803
PubChem CID:	51423881
Reduced:	ClON3C13H20 (1)
Stoich.:	ABC3D13E20 (1)
Weight, g/mol:	407.166748
ΔH_f, kcal/mol:	-41.0
Dipole, Da:	3.03
IP(EA), eV:	-9.59(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-benzyl-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylpropanamide

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)C2=C(C=NN2C)Cl

DOS

IR

Vibrations