Geometry & MOs

Info

ID:	391438
PubChem CID:	135005091
Reduced:	ClNSF6C7H10 (1)
Stoich.:	ABCD6E7F10 (1)
Weight, g/mol:	410.173348
ΔH_f, kcal/mol:	-345.9
Dipole, Da:	4.85
IP(EA), eV:	-9.42(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-7-phenyl-3-trimethylsilyl-5-(3-trimethylsilylprop-2-ynyl)-4,6-dihydro-1-benzofuran-2-one

Drug info:

PubChemData

Smile

CC(C)(C)NSC(C(F)(F)F)(C(F)(F)F)Cl

DOS

IR

Vibrations