Geometry & MOs

Info

ID:	403825
PubChem CID:	135062062
Reduced:	BrFN2O7C21H28 (1)
Stoich.:	ABC2D7E21F28 (1)
Weight, g/mol:	491.1389
ΔH_f, kcal/mol:	-331.64
Dipole, Da:	6.01
IP(EA), eV:	-9.78(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,2S)-2-fluoro-2-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]-1-phenylethyl]-4-methylbenzenesulfinamide

Drug info:

PubChemData

Smile

CCOC(=O)C(C(=O)C1=CC(=CC=C1)Br)(N(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)F

DOS

IR

Vibrations