Geometry & MOs

Info

ID:

177099

PubChem CID:

76135365

Reduced:

N11O16C41H61 (1)

Stoich.:

A11B16C41D61 (1)

Weight, g/mol:

552.367556

ΔHf, kcal/mol:

-663.64

Dipole, Da:

4.03

IP(EA), eV:

 -9.32(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[2-[2,6-bis(diethylaminomethyl)pyridin-4-yl]ethynyl]phenoxy]-N-(6-hydroperoxy-5-methylhexyl)acetamide

Drug info:

PubChemData

Smile

CN1C(C(=O)NCC(=O)NC(C(=O)NCC2=CC(=CC=C2)C(=O)NC(C1=O)CCCCNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)CCCN=CN

DOS

IR

Vibrations