Geometry & MOs

Info

ID:	419381
PubChem CID:	135108063
Reduced:	ClON3C21H26 (1)
Stoich.:	ABC3D21E26 (1)
Weight, g/mol:	398.223929
ΔH_f, kcal/mol:	-7.28
Dipole, Da:	0.99
IP(EA), eV:	-8.51(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4R,5S)-5-hydroxy-4-methyl-9-(2-methylsulfanylacetyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1N[C@@H]2COC[C@H]2CC3=CC=NC=C3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations