Geometry & MOs

Info

ID:	354922
PubChem CID:	127287682
Reduced:	SO3N4C15H22 (1)
Stoich.:	AB3C4D15E22 (1)
Weight, g/mol:	267.104148
ΔH_f, kcal/mol:	-108.66
Dipole, Da:	6.79
IP(EA), eV:	-9.28(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(azetidin-1-yl)-2-oxoethyl]sulfanyl-1-propan-2-ylpyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)N1C=CC(=O)N=C1SCC(=O)NCC(=O)N2CCCC2

DOS

IR

Vibrations