Geometry & MOs

Info

ID:	419898
PubChem CID:	135109631
Reduced:	O4N7C31H45 (1)
Stoich.:	A4B7C31D45 (1)
Weight, g/mol:	403.122022
ΔH_f, kcal/mol:	-138.4
Dipole, Da:	5.89
IP(EA), eV:	-8.45(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-9-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-methyl-1-oxa-9-azaspiro[5.5]undecane-4,5-diol

Drug info:

PubChemData

Smile

C[C@H]1C(=O)NCCCN(CCCC(=O)N[C@H](C(=O)N1C)CC2=CC=C(C=C2)OC)CC3=CN=C(N=C3)N4CCCCC4

DOS

IR

Vibrations