Geometry & MOs

Info

ID:	421585
PubChem CID:	135116265
Reduced:	SN5O6C27H41 (1)
Stoich.:	AB5C6D27E41 (1)
Weight, g/mol:	337.168936
ΔH_f, kcal/mol:	-266.45
Dipole, Da:	2.62
IP(EA), eV:	-8.78(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluoro-4-hydroxyphenyl)-1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone

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)CCSC)C(C)C)C(=O)[C@H](C)O)CC2=CC=CC=C2

DOS

IR

Vibrations