Geometry & MOs

Info

ID:	154620
PubChem CID:	56314095
Reduced:	S2N4O4H18C19 (1)
Stoich.:	A2B4C4D18E19 (1)
Weight, g/mol:	464.130754
ΔH_f, kcal/mol:	-84.9
Dipole, Da:	7.7
IP(EA), eV:	-8.18(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanoyl]-4-oxo-3H-phthalazine-1-carbohydrazide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)NC3=CC(=CC=C3)NC(=O)N

DOS

IR

Vibrations