Geometry & MOs

Info

ID:	314280
PubChem CID:	126621141
Reduced:	ISN2C5H7 (1)
Stoich.:	ABC2D5E7 (1)
Weight, g/mol:	522.170174
ΔH_f, kcal/mol:	48.79
Dipole, Da:	3.35
IP(EA), eV:	-9.86(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C(S1)[C@H](C)I

DOS

IR

Vibrations