Geometry & MOs

Info

ID:	380315
PubChem CID:	134970725
Reduced:	NSCl3O7C27H32 (1)
Stoich.:	ABC3D7E27F32 (1)
Weight, g/mol:	438.152597
ΔH_f, kcal/mol:	-295.35
Dipole, Da:	3.22
IP(EA), eV:	-9.05(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,6S)-3,5,6-triacetyloxy-4-phenylmethoxyoxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CCSC1[C@@H](OC([C@H](C1OCC2=CC=CC=C2)OC(=O)C)COCC3=CC=CC=C3)NC(=O)OCC(Cl)(Cl)Cl

DOS

IR

Vibrations