Geometry & MOs

Info

ID:

168833

PubChem CID:

75024698

Reduced:

BrSN2O4C20H21 (1)

Stoich.:

ABC2D4E20F21 (1)

Weight, g/mol:

1299.676428

ΔHf, kcal/mol:

-136.68

Dipole, Da:

3.67

IP(EA), eV:

 -9.47(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[9-(3-aminopropyl)-3,27-dibenzyl-24-[3-(diaminomethylideneamino)propyl]-6,15-bis[(4-hydroxyphenyl)methyl]-2,5,8,11,14,17,20,23,26,29-decaoxo-12-propan-2-yl-1,4,7,10,13,16,19,22,25,28-decazabicyclo[28.3.0]tritriacontan-21-yl]-N-propylacetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CS)NC(=O)CC2=CC=C(C=C2)Br

DOS

IR

Vibrations