Geometry & MOs

Info

ID:	195975
PubChem CID:	78757565
Reduced:	ClSN2O4H13C18 (1)
Stoich.:	ABC2D4E13F18 (1)
Weight, g/mol:	371.079643
ΔH_f, kcal/mol:	-51.83
Dipole, Da:	4.97
IP(EA), eV:	-9.27(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(2-chlorophenyl)ethyl-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]azanium

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C=C(C(=O)O)SC2=NN=C(O2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations