Geometry & MOs

Info

ID:	354917
PubChem CID:	127287677
Reduced:	SO2N4C13H16 (1)
Stoich.:	AB2C4D13E16 (1)
Weight, g/mol:	364.156912
ΔH_f, kcal/mol:	24.46
Dipole, Da:	8.88
IP(EA), eV:	-9.51(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1C=CC(=O)N=C1SCC2=NOC(=N2)C3CC3

DOS

IR

Vibrations