Geometry & MOs

Info

ID:	229124
PubChem CID:	87567008
Reduced:	O2N3F8H21C25 (1)
Stoich.:	A2B3C8D21E25 (1)
Weight, g/mol:	620.359215
ΔH_f, kcal/mol:	-424.36
Dipole, Da:	7.07
IP(EA), eV:	-9.93(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate;2-(chloromethyl)oxirane

Drug info:

PubChemData

Smile

CNC(=O)[C@H](C1=CC=C(C=C1)F)N[C@H](CCC2=CN=C(C=C2)C(F)(F)F)C3=CC(=C(C=C3)F)OC(F)(F)F

DOS

IR

Vibrations