Geometry & MOs

Info

ID:	39724
PubChem CID:	8142055
Reduced:	SO2N4C18H18 (1)
Stoich.:	AB2C4D18E18 (1)
Weight, g/mol:	354.115047
ΔH_f, kcal/mol:	-6.16
Dipole, Da:	2.3
IP(EA), eV:	-8.79(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[(6S)-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)C3=NN(C(=O)C4=CC=CC=C43)C

DOS

IR

Vibrations