Geometry & MOs

Info

ID:	162287
PubChem CID:	57394191
Reduced:	SN2O4C15H16 (1)
Stoich.:	AB2C4D15E16 (1)
Weight, g/mol:	635.227041
ΔH_f, kcal/mol:	-61.65
Dipole, Da:	7.56
IP(EA), eV:	-8.64(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[5-(cyclopenten-1-yl)-2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

CC1=C2C(SCC(=O)N=C2ON1)C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations