Geometry & MOs

Info

ID:	392112
PubChem CID:	135013038
Reduced:	ClO4H17C19 (1)
Stoich.:	AB4C17D19 (1)
Weight, g/mol:	678.399191
ΔH_f, kcal/mol:	-122.29
Dipole, Da:	1.79
IP(EA), eV:	-9.91(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,6R)-6-tripropylsilyloxy-7-[2-[2-(4-tripropylsilyloxyphenyl)ethyl]-1,3-dithian-2-yl]hept-3-en-2-one

Drug info:

PubChemData

Smile

COC(=O)C(CCC(=O)C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations