Geometry & MOs

Info

ID:	55922
PubChem CID:	17397453
Reduced:	SO2N4C14H18 (1)
Stoich.:	AB2C4D14E18 (1)
Weight, g/mol:	341.156184
ΔH_f, kcal/mol:	-3.84
Dipole, Da:	3.86
IP(EA), eV:	-8.81(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-one

Drug info:

PubChemData

Smile

CC1=C(C=CO1)C2=NN=C(N2C)SC(C)C(=O)NC3CC3

DOS

IR

Vibrations