Geometry & MOs

Info

ID:

634

PubChem CID:

3115

Reduced:

O4N9C22H27 (1)

Stoich.:

A4B9C22D27 (1)

Weight, g/mol:

481.2186

ΔHf, kcal/mol:

-72.76

Dipole, Da:

6.6

IP(EA), eV:

 -8.52(-0.42)

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-formamido-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)NC=O

DOS

IR

Vibrations