Geometry & MOs

Info

ID:	314294
PubChem CID:	126621180
Reduced:	ISN2O2F3H16C19 (1)
Stoich.:	ABC2D2E3F16G19 (1)
Weight, g/mol:	536.185824
ΔH_f, kcal/mol:	-118.35
Dipole, Da:	9.89
IP(EA), eV:	-8.36(-2.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-[(2R,5S)-3-[4-cyano-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)-1,3-oxazolidine-5-carbonyl]piperidin-4-yl]carbamate

Drug info:

PubChemData

Smile

C1=CC(=O)C=CC1=C2C=C/C(=C\3/C(C=C(N3)C(F)(F)F)COCCSI)/C=N2

DOS

IR

Vibrations