Geometry & MOs

Info

ID:

215289

PubChem CID:

85084489

Reduced:

O7N11C39H61 (1)

Stoich.:

A7B11C39D61 (1)

Weight, g/mol:

796.463582

ΔHf, kcal/mol:

-306.84

Dipole, Da:

7.02

IP(EA), eV:

 -8.89(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-(4-aminobutyl)-15-benzyl-3-butan-2-yl-6-(1H-indol-3-ylmethyl)-16-methyl-1,4,7,13,16,19-hexazatricyclo[19.4.0.09,13]pentacosane-2,5,8,14,17,20-hexone

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)NC(=O)C4CCCN4C(=O)C(CCCN=C(N)N)N

DOS

IR

Vibrations