Geometry & MOs

Info

ID:	222629
PubChem CID:	85305652
Reduced:	NO4C23H29 (1)
Stoich.:	AB4C23D29 (1)
Weight, g/mol:	383.176644
ΔH_f, kcal/mol:	-126.18
Dipole, Da:	1.55
IP(EA), eV:	-10.06(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decane-4-carbonyl)-3-methylheptane-2,6-dione

Drug info:

PubChemData

Smile

CCCCCCCC#CC(=O)N(CC=CCOC(=O)C)C(=O)C1=CC=CC=C1

DOS

IR

Vibrations