Geometry & MOs

Info

ID:	414705
PubChem CID:	135087664
Reduced:	NSO5C18H25 (1)
Stoich.:	ABC5D18E25 (1)
Weight, g/mol:	307.133907
ΔH_f, kcal/mol:	-200.16
Dipole, Da:	11.62
IP(EA), eV:	-9.89(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-1-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[C@@H]([C@@](C2)(CC3CC3)C(=O)O)O)C

DOS

IR

Vibrations