Geometry & MOs

Info

ID:	370979
PubChem CID:	127341684
Reduced:	ClSN3O3C15H16 (1)
Stoich.:	ABC3D3E15F16 (1)
Weight, g/mol:	332.094312
ΔH_f, kcal/mol:	-68.65
Dipole, Da:	6.63
IP(EA), eV:	-9.14(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-3,4-dihydro-2H-isoquinolin-1-one

Drug info:

PubChemData

Smile

CC1CC2=C(O1)C(=CC(=C2)S(=O)(=O)N3CCN4C=CN=C4C3)Cl

DOS

IR

Vibrations