Geometry & MOs

Info

ID:	416273
PubChem CID:	135089285
Reduced:	FNSO5C13H16 (1)
Stoich.:	ABCD5E13F16 (1)
Weight, g/mol:	418.177168
ΔH_f, kcal/mol:	-251.1
Dipole, Da:	3.34
IP(EA), eV:	-10.06(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(4-chlorophenyl)-3-(2-methoxyethylamino)-1,2-oxazol-4-yl]-[(1S,6R)-3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[C@H]([C@H](C2)C(=O)O)O)F

DOS

IR

Vibrations