Geometry & MOs

Info

ID:	417968
PubChem CID:	135103186
Reduced:	F2O3N5C17H19 (1)
Stoich.:	A2B3C5D17E19 (1)
Weight, g/mol:	333.121237
ΔH_f, kcal/mol:	-132.35
Dipole, Da:	6.04
IP(EA), eV:	-9.25(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCNC(=O)C1CC(=O)NCC2=NOC(=N2)C3=C(C=CC=C3F)F

DOS

IR

Vibrations