Geometry & MOs

Info

ID:	392648
PubChem CID:	135017462
Reduced:	SiO2C25H26 (1)
Stoich.:	AB2C25D26 (1)
Weight, g/mol:	272.123486
ΔH_f, kcal/mol:	-41.74
Dipole, Da:	4.53
IP(EA), eV:	-9.41(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-(1-adamantyl) benzenecarbothioate

Drug info:

PubChemData

Smile

C[C@@]1(CC[C@H]1C[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

DOS

IR

Vibrations