Geometry & MOs

Info

ID:	422634
PubChem CID:	135118170
Reduced:	ClN5O6C34H46 (1)
Stoich.:	AB5C6D34E46 (1)
Weight, g/mol:	241.167794
ΔH_f, kcal/mol:	-267.52
Dipole, Da:	8.33
IP(EA), eV:	-8.98(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]butanoic acid

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)CC(C)C)C(=O)C3=CC(=C(C=C3)C)Cl)C(C)C

DOS

IR

Vibrations