Geometry & MOs

Info

ID:

164627

PubChem CID:

74427506

Reduced:

O9N13C53H69 (1)

Stoich.:

A9B13C53D69 (1)

Weight, g/mol:

317.21167

ΔHf, kcal/mol:

-266.1

Dipole, Da:

7.13

IP(EA), eV:

 -8.79(-1.77)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

2-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate

Drug info:

PubChemData

Smile

CCCCC(C(=O)NC1CC(=O)NCCCCC(NC(=O)C2CC3=CC=CC=C3CN2C(=O)C(NC(=O)C4CC5=CC=CC=C5CN4C(=O)C6CC7=CC=CC=C7CN6C1=O)CCCN=C(N)N)C(=O)N)NC(=O)N

DOS

IR

Vibrations