Geometry & MOs

Info

ID:	170341
PubChem CID:	75219079
Reduced:	BrClNSO3H23C25 (1)
Stoich.:	ABCDE3F23G25 (1)
Weight, g/mol:	660.384616
ΔH_f, kcal/mol:	-46.68
Dipole, Da:	7.43
IP(EA), eV:	-9.54(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[6-[6-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-2-methylnonyl]-2-phenyl-1,3-dioxan-4-yl]acetate

Drug info:

PubChemData

Smile

CCC=C(C(C1=CC=CC=C1Cl)NS(=O)(=O)C2=CC=C(C=C2)C)C(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations