Geometry & MOs

Info

ID:	419329
PubChem CID:	135107985
Reduced:	ClO3N4C17H21 (1)
Stoich.:	AB3C4D17E21 (1)
Weight, g/mol:	387.127107
ΔH_f, kcal/mol:	-51.21
Dipole, Da:	3.48
IP(EA), eV:	-8.53(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCC1=NOC(=N1)CNC(=O)C2=C(C=CC(=C2)N3CCCCC3)Cl

DOS

IR

Vibrations