Geometry & MOs

Info

ID:	61718
PubChem CID:	26712123
Reduced:	SN2O5C22H26 (1)
Stoich.:	AB2C5D22E26 (1)
Weight, g/mol:	468.183127
ΔH_f, kcal/mol:	-179.18
Dipole, Da:	7.42
IP(EA), eV:	-9.36(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-3-ethyl-4-oxophthalazine-1-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H](N1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)OC)C

DOS

IR

Vibrations