Geometry & MOs

Info

ID:	421946
PubChem CID:	135116888
Reduced:	S2O3N4C15H20 (1)
Stoich.:	A2B3C4D15E20 (1)
Weight, g/mol:	323.080515
ΔH_f, kcal/mol:	-78.42
Dipole, Da:	9.17
IP(EA), eV:	-9.4(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC(=O)CN(C)CC2=CSC(=N2)C(C)C)C(=O)O

DOS

IR

Vibrations