Geometry & MOs

Info

ID:	220116
PubChem CID:	85165261
Reduced:	NO2S6H31C32 (1)
Stoich.:	AB2C6D31E32 (1)
Weight, g/mol:	654.215985
ΔH_f, kcal/mol:	9.09
Dipole, Da:	4.25
IP(EA), eV:	-8.66(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4-diacetyloxy-6-phenylmethoxy-5-(3,4,5-triacetyloxyoxan-2-yl)oxyoxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(C)(C)SC1=C2C(=C(S1)C3=CC=CS3)C4(C5C(C2(S4)C6=CC=CS6)C(=O)N(C5=O)C7=CC=CC=C7)SC(C)(C)C

DOS

IR

Vibrations