Geometry & MOs

Info

ID:	164420
PubChem CID:	74397961
Reduced:	SN4O5C20H24 (1)
Stoich.:	AB4C5D20E24 (1)
Weight, g/mol:	250.156895
ΔH_f, kcal/mol:	-81.1
Dipole, Da:	4.26
IP(EA), eV:	-9.32(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-hydroxy-1,5,6,10,10-pentamethyladamantane-2,4-dione

Drug info:

PubChemData

Smile

CC(C(C1=CC=CC=C1)NC(=O)C2CCCN2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations