Geometry & MOs

Info

ID:	62068
PubChem CID:	26717406
Reduced:	SN2Cl3O3C17H17 (1)
Stoich.:	AB2C3D3E17F17 (1)
Weight, g/mol:	456.133063
ΔH_f, kcal/mol:	-99.35
Dipole, Da:	3.93
IP(EA), eV:	-9.59(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-N-(4-acetylphenyl)-3-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentanamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=C(C=C1)Cl)Cl)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N(C)C

DOS

IR

Vibrations