Geometry & MOs

Info

ID:	423554
PubChem CID:	135119723
Reduced:	NO3C9H11 (2)
Stoich.:	AB3C9D11 (2)
Weight, g/mol:	343.100892
ΔH_f, kcal/mol:	-209.44
Dipole, Da:	6.34
IP(EA), eV:	-9.23(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-7-(3-chloro-2-methylphenyl)sulfonyl-7-azaspiro[4.5]decan-4-ol

Drug info:

PubChemData

Smile

C1COC2=C(C=CC=C2O1)C(=O)N3C[C@H]4CN([C@@H](C3)COC4)CC(=O)O

DOS

IR

Vibrations