Geometry & MOs

Info

ID:	63558
PubChem CID:	26758617
Reduced:	ClN2S2O3C16H19 (1)
Stoich.:	AB2C2D3E16F19 (1)
Weight, g/mol:	445.070398
ΔH_f, kcal/mol:	-85.17
Dipole, Da:	8.39
IP(EA), eV:	-9.12(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[4-chloro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=O)C2=CC=C(S2)Cl

DOS

IR

Vibrations