Geometry & MOs

Info

ID:

7081

PubChem CID:

71174

Reduced:

O4N9C22H29 (1)

Stoich.:

A4B9C22D29 (1)

Weight, g/mol:

483.23425

ΔHf, kcal/mol:

-83.97

Dipole, Da:

5.68

IP(EA), eV:

 -8.41(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-4-(hydroxymethylamino)-1-methylpyrrole-2-carboxamide

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)NCO

DOS

IR

Vibrations