Geometry & MOs

Info

ID:	151021
PubChem CID:	53790718
Reduced:	NOSC4H7 (1)
Stoich.:	ABCD4E7 (1)
Weight, g/mol:	374.199428
ΔH_f, kcal/mol:	-25.31
Dipole, Da:	2.77
IP(EA), eV:	-8.92(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1-(3-phenylprop-2-enyl)pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC(C=O)C(=S)N

DOS

IR

Vibrations