Geometry & MOs

Info

ID:	132737
PubChem CID:	51409874
Reduced:	SN2O2Cl3H8C12 (1)
Stoich.:	AB2C2D3E8F12 (1)
Weight, g/mol:	362.12287
ΔH_f, kcal/mol:	-23.99
Dipole, Da:	6.13
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.052362
Charge, e:	-1

Chem-info

IUPAC name:

N-[C-(2,3-dihydroindol-1-yl)-N-(4,6-dimethylpyrimidin-2-yl)carbonimidoyl]-2,2,2-trifluoroethanimidate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)S(=O)(=O)[N-]C2=CC(=C(C(=C2)Cl)N)Cl)Cl

DOS

IR

Vibrations