Geometry & MOs

Info

ID:	63853
PubChem CID:	26759323
Reduced:	SN2F3O4H15C17 (1)
Stoich.:	AB2C3D4E15F17 (1)
Weight, g/mol:	391.139528
ΔH_f, kcal/mol:	-292.17
Dipole, Da:	7.32
IP(EA), eV:	-9.1(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 2-[3-(trifluoromethyl)phenyl]acetate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=C(C=CS1)C(=O)N)OC(=O)CC2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations