Geometry & MOs

Info

ID:	245270
PubChem CID:	99443237
Reduced:	FSN3O5C22H26 (1)
Stoich.:	ABC3D5E22F26 (1)
Weight, g/mol:	409.016255
ΔH_f, kcal/mol:	-236.47
Dipole, Da:	6.95
IP(EA), eV:	-8.9(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chloro-4-fluorophenyl)methylsulfonyl]-N-[3-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)N2CCN(CC2)C3=CC=C(C=C3)F

DOS

IR

Vibrations