Geometry & MOs

Info

ID:	394363
PubChem CID:	135022842
Reduced:	NO3F5C19H20 (1)
Stoich.:	AB3C5D19E20 (1)
Weight, g/mol:	430.152872
ΔH_f, kcal/mol:	-349.0
Dipole, Da:	6.64
IP(EA), eV:	-9.44(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,5R)-3-(3-nitroanilino)-8,8-diphenyl-1,6-dioxaspiro[4.4]nonan-2-one

Drug info:

PubChemData

Smile

CC1(C2(CCCC2)C[C@]3(O1)C[C@@H](C(=O)O3)NC4=C(C(=C(C(=C4F)F)F)F)F)C

DOS

IR

Vibrations