Geometry & MOs

Info

ID:

184417

PubChem CID:

77159193

Reduced:

N2Cl3O4H29C30 (1)

Stoich.:

A2B3C4D29E30 (1)

Weight, g/mol:

464.257612

ΔHf, kcal/mol:

-148.38

Dipole, Da:

4.77

IP(EA), eV:

 -9.22(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

16-ethenyl-11-ethyl-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5(26),6,8,10,12,14,16,18-nonaen-4-one

Drug info:

PubChemData

Smile

C1CC(CCC1O)OC2=C(C=C(C=C2)Cl)C3C4(C(CC(=O)N3)C5CC(=CC=C5)Cl)C6=C(C=C(C=C6)Cl)NC4=O

DOS

IR

Vibrations