Geometry & MOs

Info

ID:

15887

PubChem CID:

454502

Reduced:

O4N9C26H34 (2)

Stoich.:

A4B9C26D34 (2)

Weight, g/mol:

1072.546751

ΔHf, kcal/mol:

-205.28

Dipole, Da:

4.15

IP(EA), eV:

 -8.49(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,N'-bis[5-[[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]decanediamide

Drug info:

PubChemData

Smile

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCC(=N)N)C)C)NC(=O)CCCCCCCCC(=O)NC4=CN(C(=C4)C(=O)NC5=CN(C(=C5)C(=O)NC6=CN(C(=C6)C(=O)NCCC(=N)N)C)C)C

DOS

IR

Vibrations