Geometry & MOs

Info

ID:	269555
PubChem CID:	103617944
Reduced:	SO2N4C12H18 (1)
Stoich.:	AB2C4D12E18 (1)
Weight, g/mol:	273.054753
ΔH_f, kcal/mol:	-57.35
Dipole, Da:	4.03
IP(EA), eV:	-9.57(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(trifluoromethylsulfanyl)ethyl]phthalazin-1-amine

Drug info:

PubChemData

Smile

CC(C)CC1=NN=C(S1)NC(=O)C2CCC(=O)NC2

DOS

IR

Vibrations