Geometry & MOs

Info

ID:	16872
PubChem CID:	478081
Reduced:	SN2O2C15H18 (1)
Stoich.:	AB2C2D15E18 (1)
Weight, g/mol:	290.108899
ΔH_f, kcal/mol:	-63.32
Dipole, Da:	3.32
IP(EA), eV:	-9.03(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butan-2-yloxy-4-(3-methylphenyl)sulfanyl-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

CCC(C)OC1=NC(=CC(=O)N1)SC2=CC=CC(=C2)C

DOS

IR

Vibrations