Geometry & MOs

Info

ID:	139545
PubChem CID:	52553277
Reduced:	SN2O5H16C18 (1)
Stoich.:	AB2C5D16E18 (1)
Weight, g/mol:	440.184841
ΔH_f, kcal/mol:	-85.5
Dipole, Da:	1.31
IP(EA), eV:	-9.36(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(3-benzamidophenyl)ethyl]-N,3-dimethyl-4-oxophthalazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)OCCC(=O)OCC2=NOC(=N2)C3=CC=CS3

DOS

IR

Vibrations