Geometry & MOs

Info

ID:	405178
PubChem CID:	135072914
Reduced:	OSH12C16 (1)
Stoich.:	ABC12D16 (1)
Weight, g/mol:	725.260037
ΔH_f, kcal/mol:	86.47
Dipole, Da:	2.86
IP(EA), eV:	-9.1(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,5S)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-[N-phenyl-C-(trifluoromethyl)carbonimidoyl]oxyoxan-3-yl] benzoate

Drug info:

PubChemData

Smile

C1CC1=C=C(C2=CC=CC=C2)C(=O)C3=CC=CS3

DOS

IR

Vibrations