Geometry & MOs

Info

ID:	419150
PubChem CID:	135107606
Reduced:	OCl2N3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	371.132193
ΔH_f, kcal/mol:	-16.77
Dipole, Da:	5.01
IP(EA), eV:	-8.74(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-7-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-methoxy-7-azaspiro[4.5]decane

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCO)CC2=C(C(=CC=C2)Cl)Cl

DOS

IR

Vibrations