Geometry & MOs

Info

ID:	418300
PubChem CID:	135104090
Reduced:	O3N4C16H22 (1)
Stoich.:	A3B4C16D22 (1)
Weight, g/mol:	365.202465
ΔH_f, kcal/mol:	-37.86
Dipole, Da:	6.27
IP(EA), eV:	-9.46(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-7-(4-pentylphenyl)sulfonyl-7-azaspiro[4.5]decan-4-ol

Drug info:

PubChemData

Smile

COCCC1=NOC(=N1)CN2C[C@H]([C@@H](C2)O)CC3=CC=CC=N3

DOS

IR

Vibrations