Geometry & MOs

Info

ID:	419243
PubChem CID:	135107818
Reduced:	NOC9H15 (2)
Stoich.:	ABC9D15 (2)
Weight, g/mol:	400.214427
ΔH_f, kcal/mol:	-104.68
Dipole, Da:	4.19
IP(EA), eV:	-8.79(1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5R)-2-methyl-11-(2-methylsulfanylacetyl)-5-propan-2-yl-1,4,7,11-tetrazacyclopentadecane-3,6,15-trione

Drug info:

PubChemData

Smile

CC1=CC2(CCN(CC2)C(=O)CN3CCCCCC3)OCC1

DOS

IR

Vibrations