Geometry & MOs

Info

ID:	394980
PubChem CID:	135024351
Reduced:	S2O3C19H32 (1)
Stoich.:	A2B3C19D32 (1)
Weight, g/mol:	265.068968
ΔH_f, kcal/mol:	-173.8
Dipole, Da:	4.45
IP(EA), eV:	-8.39(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-chloro-2-(2-trimethylsilylethynyl)phenyl]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H](C([C@H]1CCC2(SCCCS2)C)C=O)[C@@H](C)C(=O)OC

DOS

IR

Vibrations