Geometry & MOs

Info

ID:	43476
PubChem CID:	10321359
Reduced:	O3N4C26H30 (1)
Stoich.:	A3B4C26D30 (1)
Weight, g/mol:	446.17631
ΔH_f, kcal/mol:	-93.37
Dipole, Da:	4.46
IP(EA), eV:	-9.02(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3R,4S,5R,6R)-2-ethylsulfanyl-6-(hydroxymethyl)-4,5-bis(phenylmethoxy)oxan-3-yl] acetate

Drug info:

PubChemData

Smile

C1CN(CCC1C2=CC=CC=C2)CCNC(=O)C3=CC4=C(CC5(CC4)C(=O)NC(=O)N5)C=C3

DOS

IR

Vibrations