Geometry & MOs

Info

ID:	131370
PubChem CID:	51197616
Reduced:	ClO2N4H17C18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	391.080219
ΔH_f, kcal/mol:	8.97
Dipole, Da:	4.97
IP(EA), eV:	-9.33(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(difluoromethylsulfanyl)phenyl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)N2C=NC=N2)NC(=O)COC3=CC=CC=C3Cl

DOS

IR

Vibrations