Geometry & MOs

Info

ID:

219201

PubChem CID:

85091525

Reduced:

N8O9C36H46 (1)

Stoich.:

A8B9C36D46 (1)

Weight, g/mol:

734.331564

ΔHf, kcal/mol:

-344.17

Dipole, Da:

4.95

IP(EA), eV:

 -8.75(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

dimethyl 5-ethyl-10,14-bis(3-methoxy-3-oxopropyl)-4,9,15,19-tetramethyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,13,15,17,21,23-dodecaene-20,21-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)O)NC(=O)C(CN)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC(=O)O)NC(=O)C(=C)N

DOS

IR

Vibrations