Geometry & MOs

Info

ID:	329074
PubChem CID:	126731080
Reduced:	ON5C17H17 (1)
Stoich.:	AB5C17D17 (1)
Weight, g/mol:	228.154787
ΔH_f, kcal/mol:	52.74
Dipole, Da:	7.12
IP(EA), eV:	-8.98(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-tert-butyl-2,2-dimethyl-3H-furan-4-yl)propane-2-thiol

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C(N=C2)C)C3=CC=CC=C3)NC(=O)C

DOS

IR

Vibrations