Geometry & MOs

Info

ID:	380848
PubChem CID:	134971422
Reduced:	BNSF4O4H8C10 (1)
Stoich.:	ABCD4E4F8G10 (1)
Weight, g/mol:	270.125594
ΔH_f, kcal/mol:	-418.75
Dipole, Da:	2.31
IP(EA), eV:	-9.8(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (1S,2R,3R,4R)-3-acetylbicyclo[2.2.1]hept-5-ene-2-carboxylate

Drug info:

PubChemData

Smile

B1(N([C@H](C(=O)O1)CC2=CC=CC=C2)S(=O)(=O)C(F)(F)F)F

DOS

IR

Vibrations