Geometry & MOs

Info

ID:	416638
PubChem CID:	135089896
Reduced:	SO2N4C22H24 (1)
Stoich.:	AB2C4D22E24 (1)
Weight, g/mol:	337.168936
ΔH_f, kcal/mol:	-23.61
Dipole, Da:	5.95
IP(EA), eV:	-9.15(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(4-fluorophenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)SCC(=O)N[C@H]2COC[C@H]2CC3=CC=NC4=CC=CC=C34)C

DOS

IR

Vibrations