Geometry & MOs

Info

ID:	39723
PubChem CID:	8142054
Reduced:	SN3O3C19H19 (1)
Stoich.:	AB3C3D19E19 (1)
Weight, g/mol:	354.115047
ΔH_f, kcal/mol:	-79.13
Dipole, Da:	6.41
IP(EA), eV:	-8.8(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-oxophthalazine-1-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)SC(=N2)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations