Geometry & MOs

Info

ID:

84934

PubChem CID:

49870771

Reduced:

N10O13C38H54 (1)

Stoich.:

A10B13C38D54 (1)

Weight, g/mol:

573.469001

ΔHf, kcal/mol:

-571.96

Dipole, Da:

5.2

IP(EA), eV:

 -8.57(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N,2-N,3-N-tris[4-(3-aminopropylamino)butyl]-2-hydroxypropane-1,2,3-tricarboxamide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)O)N

DOS

IR

Vibrations