Geometry & MOs

Info

ID:

2044

PubChem CID:

5649

Reduced:

NO3C9H15 (6)

Stoich.:

AB3C9D15 (6)

Weight, g/mol:

1110.63116

ΔHf, kcal/mol:

-922.4

Dipole, Da:

9.35

IP(EA), eV:

 -10.11(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6,18,30-trimethyl-3,9,12,15,21,24,27,33,36-nona(propan-2-yl)-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone

Drug info:

PubChemData

Smile

CC1C(=O)NC(C(=O)OC(C(=O)NC(C(=O)OC(C(=O)NC(C(=O)OC(C(=O)NC(C(=O)OC(C(=O)NC(C(=O)OC(C(=O)NC(C(=O)O1)C(C)C)C(C)C)C(C)C)C)C(C)C)C(C)C)C(C)C)C)C(C)C)C(C)C)C(C)C

DOS

IR

Vibrations