Geometry & MOs

Info

ID:	63830
PubChem CID:	26759272
Reduced:	SN3O4C22H25 (1)
Stoich.:	AB3C4D22E25 (1)
Weight, g/mol:	369.098806
ΔH_f, kcal/mol:	-109.9
Dipole, Da:	8.38
IP(EA), eV:	-8.6(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-[3-(trifluoromethyl)phenyl]acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CCC3=CNC4=CC=CC=C43

DOS

IR

Vibrations