Geometry & MOs

Info

ID:	176763
PubChem CID:	76095396
Reduced:	SN4O5C17H26 (1)
Stoich.:	AB4C5D17E26 (1)
Weight, g/mol:	175.026943
ΔH_f, kcal/mol:	-215.37
Dipole, Da:	6.3
IP(EA), eV:	-8.53(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

isoquinoline-1,3,5-trione

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C(CCCSC2=NC=CN2C)N(C(=O)O)C(=O)O

DOS

IR

Vibrations