Geometry & MOs

Info

ID:	402184
PubChem CID:	135054784
Reduced:	N3O5C24H33 (1)
Stoich.:	A3B5C24D33 (1)
Weight, g/mol:	389.202465
ΔH_f, kcal/mol:	-135.68
Dipole, Da:	9.31
IP(EA), eV:	-8.9(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-cyclohexyl-2-(4-methylphenyl)sulfonyl-2-azaspiro[3.6]decan-3-one

Drug info:

PubChemData

Smile

CCC[C@H]([C@@H](CC)NC1=CC=C(C=C1)[N+](=O)[O-])C(NC(=O)OCC2=CC=CC=C2)OCC

DOS

IR

Vibrations