Geometry & MOs

Info

ID:	423704
PubChem CID:	135120051
Reduced:	FN2O3C18H23 (1)
Stoich.:	AB2C3D18E23 (1)
Weight, g/mol:	383.140259
ΔH_f, kcal/mol:	-109.26
Dipole, Da:	2.74
IP(EA), eV:	-8.92(-0.13)
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)sulfonyl]-4-methylbenzoic acid

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@H]2O)CCCOC3=CC=C(C=C3)F

DOS

IR

Vibrations