Geometry & MOs

Info

ID:	447810
PubChem CID:	135285922
Reduced:	ON3H23C26 (1)
Stoich.:	AB3C23D26 (1)
Weight, g/mol:	420.0121
ΔH_f, kcal/mol:	84.29
Dipole, Da:	4.73
IP(EA), eV:	-8.61(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4R,5S)-3-(5-bromo-4-fluoro-2-nitrophenyl)-4-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)C2=CC3=C(C=C2)N=C4N3C(C5C4CC=CC5)C6=CC=CC=C6

DOS

IR

Vibrations