Geometry & MOs

Info

ID:	313049
PubChem CID:	126610978
Reduced:	N2O3C13H18 (1)
Stoich.:	A2B3C13D18 (1)
Weight, g/mol:	434.156575
ΔH_f, kcal/mol:	-52.28
Dipole, Da:	6.57
IP(EA), eV:	-9.2(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[(2R,5S)-3-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-1,3-oxazolidin-5-yl]methoxy]phenyl]-3-methylurea

Drug info:

PubChemData

Smile

CC[C@@H]1CN([C@@H](O1)C)C2=CC(=C(C=C2)[N+](=O)[O-])C

DOS

IR

Vibrations