Geometry & MOs

Info

ID:	170523
PubChem CID:	75247481
Reduced:	OC7H11 (2)
Stoich.:	AB7C11 (2)
Weight, g/mol:	470.234464
ΔH_f, kcal/mol:	-108.8
Dipole, Da:	3.65
IP(EA), eV:	-9.57(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethyl]-1,3-dithian-2-yl]pentan-2-ol

Drug info:

PubChemData

Smile

CC1(CCC(=O)CC2C1=CCC2(C)CO)C

DOS

IR

Vibrations