Geometry & MOs

Info

ID:	214576
PubChem CID:	85083220
Reduced:	NSSiO5C30H37 (1)
Stoich.:	ABCD5E30F37 (1)
Weight, g/mol:	551.059731
ΔH_f, kcal/mol:	-167.77
Dipole, Da:	4.8
IP(EA), eV:	-8.59(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4,5-triacetyloxy-6-[2-(dichloromethyl)-4-nitrophenoxy]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC1(C(N2C(S1)C(C2=O)(C#CCO[Si](C)(C)C(C)(C)C)O)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)C

DOS

IR

Vibrations