Geometry & MOs

Info

ID:	419819
PubChem CID:	135109189
Reduced:	O5N6C33H42 (1)
Stoich.:	A5B6C33D42 (1)
Weight, g/mol:	353.163851
ΔH_f, kcal/mol:	-171.7
Dipole, Da:	8.25
IP(EA), eV:	-8.54(-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-(3-fluoro-4-hydroxyphenyl)ethanone

Drug info:

PubChemData

Smile

C[C@H]1C(=O)NCCCN(CCCC(=O)N[C@H](C(=O)N1C)CC2=CC=C(C=C2)OC)CC3=NC4=C(C=C3)C=C(C=C4)NC(=O)C

DOS

IR

Vibrations