Geometry & MOs

Info

ID:	421947
PubChem CID:	135116890
Reduced:	FNO6H14C15 (1)
Stoich.:	ABC6D14E15 (1)
Weight, g/mol:	440.161722
ΔH_f, kcal/mol:	-239.23
Dipole, Da:	7.34
IP(EA), eV:	-9.66(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[[4-hydroxy-4-(hydroxymethyl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]sulfonyl]-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone

Drug info:

PubChemData

Smile

C1[C@]2([C@@]1(CN(C2)C(=O)COC3=CC=C(C=C3)F)C(=O)O)C(=O)O

DOS

IR

Vibrations