Geometry & MOs

Info

ID:	134915
PubChem CID:	51783196
Reduced:	SN2F3O4H25C26 (1)
Stoich.:	AB2C3D4E25F26 (1)
Weight, g/mol:	518.148713
ΔH_f, kcal/mol:	-260.74
Dipole, Da:	9.85
IP(EA), eV:	-9.67(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[methyl-(2-phenylacetyl)amino]-N-[(4-methylphenyl)sulfonylmethyl]-2-[4-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)CNC(=O)[C@@H](C2=CC=C(C=C2)C(F)(F)F)N(C)C(=O)CC3=CC=CC=C3

DOS

IR

Vibrations