Geometry & MOs

Info

ID:	422250
PubChem CID:	135117494
Reduced:	FO3N4C21H27 (1)
Stoich.:	AB3C4D21E27 (1)
Weight, g/mol:	413.196901
ΔH_f, kcal/mol:	-69.13
Dipole, Da:	4.16
IP(EA), eV:	-9.01(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-9-[(2-chloro-4,5-diethoxyphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecane-3,4-diol

Drug info:

PubChemData

Smile

CN(C)C1=NOC(=C1C(=O)NCC2CCN(C2)C3CC3)C4=CC(=C(C=C4)F)OC

DOS

IR

Vibrations