Geometry & MOs

Info

ID:	417092
PubChem CID:	135091300
Reduced:	SN3O3C15H19 (1)
Stoich.:	AB3C3D15E19 (1)
Weight, g/mol:	601.347549
ΔH_f, kcal/mol:	-78.29
Dipole, Da:	1.74
IP(EA), eV:	-8.53(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5S)-11-[1-(2-ethoxyacetyl)piperidine-4-carbonyl]-2-[(4-methoxyphenyl)methyl]-4,5-dimethyl-1,4,7,11-tetrazacyclopentadecane-3,6,15-trione

Drug info:

PubChemData

Smile

COC1=CC(=CC=C1)SCC(=O)N(CCO)CC2=NC=CN2

DOS

IR

Vibrations