Geometry & MOs

Info

ID:	301877
PubChem CID:	123099041
Reduced:	ClSN2O5C18H19 (1)
Stoich.:	ABC2D5E18F19 (1)
Weight, g/mol:	428.101763
ΔH_f, kcal/mol:	-153.73
Dipole, Da:	8.85
IP(EA), eV:	-8.19(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-methoxyanilino)-2-oxoethyl]sulfinyl-N-[2-(trifluoromethyl)phenyl]propanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)CS(=O)CC(=O)NC2=CC(=C(C=C2)OC)Cl

DOS

IR

Vibrations