Geometry & MOs

Info

ID:	421853
PubChem CID:	135116723
Reduced:	FN4O4C20H25 (1)
Stoich.:	AB4C4D20E25 (1)
Weight, g/mol:	430.246772
ΔH_f, kcal/mol:	-145.11
Dipole, Da:	4.21
IP(EA), eV:	-9.24(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-[1-(2-methylbenzoyl)piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

CN(C)C1=NOC(=C1C(=O)NC2(CCCCC2)C(=O)N)C3=CC(=C(C=C3)F)OC

DOS

IR

Vibrations