Geometry & MOs

Info

ID:

1110

PubChem CID:

3800

Reduced:

BrN4O6C36H45 (1)

Stoich.:

AB4C6D36E45 (1)

Weight, g/mol:

708.25225

ΔHf, kcal/mol:

-246.72

Dipole, Da:

6.37

IP(EA), eV:

 -8.63(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[(2-bromo-1H-indol-3-yl)methyl]-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone

Drug info:

PubChemData

Smile

CC1CC(OC(=O)CC(NC(=O)C(N(C(=O)C(NC(=O)C(CC(=C1)C)C)C)C)CC2=C(NC3=CC=CC=C32)Br)C4=CC=C(C=C4)O)C

DOS

IR

Vibrations