Geometry & MOs

Info

ID:	80260
PubChem CID:	49833766
Reduced:	NBr2O5H13C18 (1)
Stoich.:	AB2C5D13E18 (1)
Weight, g/mol:	406.06922
ΔH_f, kcal/mol:	-109.45
Dipole, Da:	5.35
IP(EA), eV:	-8.22(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,3R,4R)-3-N-(4-bromophenyl)-2-N-(2-fluoroethyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide

Drug info:

PubChemData

Smile

CC1=CO/C(=C\2/C=C(C=CC2=O)OC3=C(C=C(C=C3Br)CC(=O)O)Br)/N1

DOS

IR

Vibrations