Geometry & MOs

Info

ID:	20696
PubChem CID:	585247
Reduced:	SO2C16H20 (1)
Stoich.:	AB2C16D20 (1)
Weight, g/mol:	276.118401
ΔH_f, kcal/mol:	-86.39
Dipole, Da:	2.33
IP(EA), eV:	-9.36(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-adamantylmethyl thiophene-2-carboxylate

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)COC(=O)C4=CC=CS4

DOS

IR

Vibrations