Geometry & MOs

Info

ID:	39563
PubChem CID:	8141361
Reduced:	SN2O3H18C19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	408.125612
ΔH_f, kcal/mol:	-38.07
Dipole, Da:	4.09
IP(EA), eV:	-8.52(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butyl-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-4-oxophthalazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C2=CSC(=N2)NC(=O)COC3=CC4=C(CCC4)C=C3

DOS

IR

Vibrations