Geometry & MOs

Info

ID:	416842
PubChem CID:	135090579
Reduced:	SO2N4C21H28 (1)
Stoich.:	AB2C4D21E28 (1)
Weight, g/mol:	389.212157
ΔH_f, kcal/mol:	-39.14
Dipole, Da:	5.43
IP(EA), eV:	-8.5(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-chlorophenyl)cyclohexyl]-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methanone

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)N2CCOCC2)N3CCC4(CC3)C5=C(CCO4)C=CS5

DOS

IR

Vibrations