Geometry & MOs

Info

ID:	65244
PubChem CID:	29204662
Reduced:	ClSN2F3O5H18C19 (1)
Stoich.:	ABC2D3E5F18G19 (1)
Weight, g/mol:	478.057705
ΔH_f, kcal/mol:	-343.92
Dipole, Da:	3.12
IP(EA), eV:	-9.33(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[(2S)-4-methylsulfonyl-1-oxo-1-[4-(trifluoromethoxy)anilino]butan-2-yl]benzamide

Drug info:

PubChemData

Smile

CS(=O)(=O)CC[C@H](C(=O)NC1=CC=C(C=C1)OC(F)(F)F)NC(=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations