Geometry & MOs

Info

ID:	54285
PubChem CID:	16957544
Reduced:	ON2H8C11 (2)
Stoich.:	AB2C8D11 (2)
Weight, g/mol:	329.119798
ΔH_f, kcal/mol:	47.98
Dipole, Da:	5.36
IP(EA), eV:	-9.08(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethylphenyl)-2-[(4-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C(=O)NN=C2C3=CC=CC=C3)C(=O)NC4=CN=CC=C4

DOS

IR

Vibrations