Geometry & MOs

Info

ID:	423001
PubChem CID:	135118749
Reduced:	N5O6C26H39 (1)
Stoich.:	A5B6C26D39 (1)
Weight, g/mol:	349.116152
ΔH_f, kcal/mol:	-276.43
Dipole, Da:	10.08
IP(EA), eV:	-9.27(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C[C@H]1C(=O)N(CCNC(=O)COC2=CC=C(C[C@@H](C(=O)NCCCC(=O)N1)NC(=O)C)C=C2)C

DOS

IR

Vibrations