Geometry & MOs

Info

ID:	304492
PubChem CID:	124754295
Reduced:	ON5C15H21 (1)
Stoich.:	AB5C15D21 (1)
Weight, g/mol:	345.06242
ΔH_f, kcal/mol:	3.2
Dipole, Da:	4.05
IP(EA), eV:	-8.56(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,3S,4R)-3-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC[C@@H](C1=C(C=CC=N1)C)NC(=O)CN2C(=CC(=N2)C)N

DOS

IR

Vibrations