Geometry & MOs

Info

ID:	414357
PubChem CID:	135087313
Reduced:	SO2N3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	508.243418
ΔH_f, kcal/mol:	-8.24
Dipole, Da:	5.17
IP(EA), eV:	-9.35(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R)-5-(1H-indol-3-ylmethyl)-2-methyl-11-(5-methyl-1,3-oxazole-4-carbonyl)-1,4,7,11-tetrazacyclopentadecane-3,6,15-trione

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C(=O)C3=CC(=CN3)C#N)C4=C1SC=C4

DOS

IR

Vibrations