Geometry & MOs

Info

ID:	417123
PubChem CID:	135091403
Reduced:	SO2N4C19H22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	339.148201
ΔH_f, kcal/mol:	-18.69
Dipole, Da:	2.82
IP(EA), eV:	-9.02(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2-fluoro-4-hydroxyphenyl)methanone

Drug info:

PubChemData

Smile

CC1=CN2C(=O)C=C(N=C2S1)CN3CCCC(C3)OCC4=CC=CC=N4

DOS

IR

Vibrations