Geometry & MOs

Info

ID:	65245
PubChem CID:	29204663
Reduced:	ClSN2F3O5H18C19 (1)
Stoich.:	ABC2D3E5F18G19 (1)
Weight, g/mol:	474.107242
ΔH_f, kcal/mol:	-348.6
Dipole, Da:	9.28
IP(EA), eV:	-9.12(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-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