Geometry & MOs

Info

ID:	214614
PubChem CID:	85083280
Reduced:	SN2O6C30H42 (1)
Stoich.:	AB2C6D30E42 (1)
Weight, g/mol:	558.283522
ΔH_f, kcal/mol:	-205.73
Dipole, Da:	3.98
IP(EA), eV:	-8.31(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(benzenesulfonyl)-2-[3-cyclohexyl-3-(oxan-2-yloxy)prop-1-ynyl]cyclopent-3-en-1-yl]oxy-tert-butyl-dimethylsilane

Drug info:

PubChemData

Smile

CC(C)COCCN(CCN1CCCC1)C2=CC=CC=C2SCC3=CC=C(C=C3)OC.C(=CC(=O)O)C(=O)O

DOS

IR

Vibrations