Geometry & MOs

Info

ID:

169459

PubChem CID:

75106052

Reduced:

Cl4N4O8C39H56 (1)

Stoich.:

A4B4C8D39E56 (1)

Weight, g/mol:

776.33187

ΔHf, kcal/mol:

-431.94

Dipole, Da:

5.61

IP(EA), eV:

 -8.78(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

16-[4-[4-[(2-aminoethylamino)methyl]phenyl]-4-chloro-3-hydroxybutan-2-yl]-10-[(3-chloro-4-methoxyphenyl)methyl]-6,6-dimethyl-3-(2-methylpropyl)-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone

Drug info:

PubChemData

Smile

CC(C)CC1C(=O)OC(CC=CC(=O)NC(C(=O)NCC(C(=O)O1)(C)C)CC2=CC(=C(C=C2)OC)Cl)C(C)C(C(C3=CC=C(C=C3)CNCCN)Cl)O.Cl.Cl

DOS

IR

Vibrations