Geometry & MOs

Info

ID:	415913
PubChem CID:	135088915
Reduced:	O4N5C22H27 (1)
Stoich.:	A4B5C22D27 (1)
Weight, g/mol:	357.175165
ΔH_f, kcal/mol:	-74.35
Dipole, Da:	6.02
IP(EA), eV:	-8.91(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-9-[(2,6-difluoro-4-methoxyphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecane-4,5-diol

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1OCC3=CN(CCCC(=O)NC4[C@@H]5CC[C@H]4CN(C5)C2=O)N=N3

DOS

IR

Vibrations