Geometry & MOs

Info

ID:	14119
PubChem CID:	404942
Reduced:	OSN4H14C15 (1)
Stoich.:	ABC4D14E15 (1)
Weight, g/mol:	298.088832
ΔH_f, kcal/mol:	43.58
Dipole, Da:	1.19
IP(EA), eV:	-9.32(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxo-1-phenyl-4-pyrrolidin-1-yl-6-sulfanylpyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NC(=O)N(C(=C2C#N)S)C3=CC=CC=C3

DOS

IR

Vibrations