Geometry & MOs

Info

ID:	392650
PubChem CID:	135017465
Reduced:	OSC18H22 (1)
Stoich.:	ABC18D22 (1)
Weight, g/mol:	314.170437
ΔH_f, kcal/mol:	-56.6
Dipole, Da:	1.61
IP(EA), eV:	-9.16(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-(1-adamantyl) 4-propan-2-ylbenzenecarbothioate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)SC23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations