Geometry & MOs

Info

ID:

490

PubChem CID:

2837

Reduced:

N5O7C35H49 (1)

Stoich.:

A5B7C35D49 (1)

Weight, g/mol:

651.363199

ΔHf, kcal/mol:

-296.44

Dipole, Da:

10.78

IP(EA), eV:

 -8.5(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[3-[3-butan-2-yl-2,5,8,11-tetraoxo-9-(6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecan-6-yl]indol-1-yl]acetate

Drug info:

PubChemData

Smile

CCC(C)C1C(=O)N2CCCCC2C(=O)NC(C(=O)NC(C(=O)N1)C3=CN(C4=CC=CC=C43)CC(=O)OC)CCCCCC(=O)CC

DOS

IR

Vibrations