Geometry & MOs

Info

ID:	256734
PubChem CID:	103140984
Reduced:	FSO2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	285.068431
ΔH_f, kcal/mol:	-107.23
Dipole, Da:	4.52
IP(EA), eV:	-8.61(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-2-(5-aminoisoquinolin-8-yl)sulfanyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1CCC(O1)CS(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations