Geometry & MOs

Info

ID:	222599
PubChem CID:	85305597
Reduced:	NS2O5C16H27 (1)
Stoich.:	AB2C5D16E27 (1)
Weight, g/mol:	377.202235
ΔH_f, kcal/mol:	-258.63
Dipole, Da:	2.89
IP(EA), eV:	-8.62(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetyl-7-(2-hydroxyethyl)-3-propan-2-yloxy-7a-(2-trimethylsilylethynyl)-3,3a,4,7-tetrahydroisoindol-1-one

Drug info:

PubChemData

Smile

CCOC(=O)C(CCC(=O)C1SCCCS1)NC(=O)OC(C)(C)C

DOS

IR

Vibrations