Geometry & MOs

Info

ID:	421539
PubChem CID:	135116181
Reduced:	NO7H15C16 (1)
Stoich.:	AB7C15D16 (1)
Weight, g/mol:	417.237604
ΔH_f, kcal/mol:	-228.84
Dipole, Da:	7.95
IP(EA), eV:	-9.25(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC2=C(C=CC=C2O1)C(=O)N3C[C@]4(C[C@]4(C3)C(=O)O)C(=O)O

DOS

IR

Vibrations