Geometry & MOs

Info

ID:	422287
PubChem CID:	135117559
Reduced:	NSO5C17H25 (1)
Stoich.:	ABC5D17E25 (1)
Weight, g/mol:	315.204573
ΔH_f, kcal/mol:	-220.59
Dipole, Da:	6.11
IP(EA), eV:	-9.7(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-ethoxy-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3(CC2)[C@H]([C@](CCO3)(C)O)O

DOS

IR

Vibrations