Geometry & MOs

Info

ID:	421246
PubChem CID:	135115644
Reduced:	N8O8C37H48 (1)
Stoich.:	A8B8C37D48 (1)
Weight, g/mol:	257.162708
ΔH_f, kcal/mol:	-153.65
Dipole, Da:	10.04
IP(EA), eV:	-9.51(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)propanoic acid

Drug info:

PubChemData

Smile

CC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)NCCCC[C@@H](C(=O)N1)NC(=O)C3=C4C(=NOC4=NC(=C3)C)C)CC5=CC=CC=C5)[C@@H](C)O

DOS

IR

Vibrations