Geometry & MOs

Info

ID:	392649
PubChem CID:	135017464
Reduced:	OSC17H20 (1)
Stoich.:	ABC17D20 (1)
Weight, g/mol:	286.139137
ΔH_f, kcal/mol:	-45.81
Dipole, Da:	0.93
IP(EA), eV:	-9.27(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-(1-adamantyl) 4-methylbenzenecarbothioate

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)SC(=O)C4=CC=CC=C4

DOS

IR

Vibrations