Geometry & MOs

Info

ID:	354896
PubChem CID:	127287656
Reduced:	N2O3C11H18 (1)
Stoich.:	A2B3C11D18 (1)
Weight, g/mol:	378.172562
ΔH_f, kcal/mol:	-145.51
Dipole, Da:	6.17
IP(EA), eV:	-9.61(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-acetylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]sulfanyl-1-cyclopropylpyrimidin-4-one

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C(=O)[C@H]2CCC(=O)N2

DOS

IR

Vibrations