Geometry & MOs

Info

ID:	417183
PubChem CID:	135091585
Reduced:	O3N5C22H27 (1)
Stoich.:	A3B5C22D27 (1)
Weight, g/mol:	323.080515
ΔH_f, kcal/mol:	-47.57
Dipole, Da:	9.92
IP(EA), eV:	-8.74(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-3-(2-fluoro-4-methoxybenzoyl)-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)C(=O)N[C@H]3COC[C@H]3CC4=CC=NC=C4)N=C1NCCOC

DOS

IR

Vibrations