Geometry & MOs

Info

ID:	421748
PubChem CID:	135116533
Reduced:	N2O4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	377.086385
ΔH_f, kcal/mol:	-141.0
Dipole, Da:	6.06
IP(EA), eV:	-9.01(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(2-chloro-4-fluorophenyl)sulfonyl-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol

Drug info:

PubChemData

Smile

CC(C)(C(=O)N1CC[C@@H]([C@@](C1)(CC2=CC=CC=C2)C(=O)O)O)N3C=CC=C3

DOS

IR

Vibrations