Geometry & MOs

Info

ID:	416490
PubChem CID:	135089505
Reduced:	OF2N2C20H24 (1)
Stoich.:	AB2C2D20E24 (1)
Weight, g/mol:	325.134779
ΔH_f, kcal/mol:	-110.3
Dipole, Da:	4.9
IP(EA), eV:	-8.76(-0.87)
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-thiophen-2-ylethanone

Drug info:

PubChemData

Smile

CC1=CC(=C2C=C(C=C(C2=N1)F)F)N3CCC[C@]4(C3)CCC[C@H]4OC

DOS

IR

Vibrations