Geometry & MOs

Info

ID:	422313
PubChem CID:	135117621
Reduced:	O2N3C16H23 (1)
Stoich.:	A2B3C16D23 (1)
Weight, g/mol:	366.161329
ΔH_f, kcal/mol:	-72.28
Dipole, Da:	3.65
IP(EA), eV:	-9.52(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3,4-dihydroxy-4-methyl-N-(3-methylsulfanylphenyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

Drug info:

PubChemData

Smile

C1CNCCC1C(=O)N[C@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations