Geometry & MOs

Info

ID:	30150
PubChem CID:	840323
Reduced:	NSBr2H7C11 (1)
Stoich.:	ABC2D7E11 (1)
Weight, g/mol:	301.131408
ΔH_f, kcal/mol:	90.68
Dipole, Da:	2.51
IP(EA), eV:	-9.21(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,3S,4R)-3-[(4-methoxyphenyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N=CC2=CC(=C(S2)Br)Br

DOS

IR

Vibrations