Geometry & MOs

Info

ID:	163429
PubChem CID:	57939575
Reduced:	SN2O2C8H16 (1)
Stoich.:	AB2C2D8E16 (1)
Weight, g/mol:	651.217933
ΔH_f, kcal/mol:	-90.41
Dipole, Da:	4.09
IP(EA), eV:	-8.92(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2R,4S)-1-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxyethyl]-methylcarbamoyl]-2-(4-fluoro-2-methylphenyl)piperidin-4-yl]oxycarbonylamino]ethyl acetate

Drug info:

PubChemData

Smile

CSCCNC(=O)N1CCOCC1

DOS

IR

Vibrations