Geometry & MOs

Info

ID:

7590

PubChem CID:

73458

Reduced:

N2O5C13H19 (3)

Stoich.:

A2B5C13D19 (3)

Weight, g/mol:

849.38819

ΔHf, kcal/mol:

-534.53

Dipole, Da:

14.65

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.775103

Charge, e:

 -3

Chem-info

IUPAC name:

N-(15,27-diacetamido-10,22,34-trimethyl-7,19,31-trioxido-2,8,14,20,26,32-hexaoxo-1,13,25-trioxa-7,19,31-triazacyclohexatriaconta-9,21,33-trien-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=O)N(CCCC(C(=O)OCCC(=CC(=O)N(CCCC(C(=O)OCCC(=CC(=O)N(CCCC(C(=O)OCC1)NC(=O)C)[O-])C)NC(=O)C)[O-])C)NC(=O)C)[O-]

DOS

IR

Vibrations