Geometry & MOs

Info

ID:	219437
PubChem CID:	85148667
Reduced:	O3N4C31H32 (1)
Stoich.:	A3B4C31D32 (1)
Weight, g/mol:	508.19196
ΔH_f, kcal/mol:	-44.43
Dipole, Da:	5.33
IP(EA), eV:	-8.75(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-ethylsulfanyl-5-hydroxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl] benzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1CC(C(=O)N2CC3=CC=CC=C3CC2C4=NC=C(N4)C5=CC=CC=C5)N)C)OC(=O)C

DOS

IR

Vibrations