Geometry & MOs

Info

ID:	421286
PubChem CID:	135115695
Reduced:	O2N4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	429.195151
ΔH_f, kcal/mol:	-43.12
Dipole, Da:	7.42
IP(EA), eV:	-8.87(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2=CC=C(C=C2)CNC3=C(C=CC=N3)C(=O)N4CCCC4

DOS

IR

Vibrations