Geometry & MOs

Info

ID:	159823
PubChem CID:	57288790
Reduced:	NCl2F3O4H12C17 (1)
Stoich.:	AB2C3D4E12F17 (1)
Weight, g/mol:	181.056135
ΔH_f, kcal/mol:	-233.93
Dipole, Da:	2.68
IP(EA), eV:	-9.53(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-anilino-3-sulfanylpropan-2-one

Drug info:

PubChemData

Smile

CC(=O)OC(C(C1=CC(=CC=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)N=O)Cl

DOS

IR

Vibrations