Geometry & MOs

Info

ID:	419107
PubChem CID:	135107521
Reduced:	SO2N5C19H23 (1)
Stoich.:	AB2C5D19E23 (1)
Weight, g/mol:	474.247835
ΔH_f, kcal/mol:	-14.99
Dipole, Da:	7.25
IP(EA), eV:	-9.13(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5R)-11-[2-(1,3-benzodioxol-5-yl)acetyl]-2-methyl-5-propan-2-yl-1,4,7,11-tetrazacyclopentadecane-3,6,15-trione

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=CN=CC(=N2)NC3CCCN(C3)C(=O)C4=CC=CS4

DOS

IR

Vibrations