Geometry & MOs

Info

ID:	421004
PubChem CID:	135115188
Reduced:	N2O2C19H28 (1)
Stoich.:	A2B2C19D28 (1)
Weight, g/mol:	268.051778
ΔH_f, kcal/mol:	-91.51
Dipole, Da:	4.37
IP(EA), eV:	-8.94(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-3-(1,3-thiazol-5-ylmethyl)-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC(=O)N2CC[C@]3(CCCN([C@@H]3C2)C)CO

DOS

IR

Vibrations