Geometry & MOs

Info

ID:

225705

PubChem CID:

87225378

Reduced:

O3N7H21C24 (1)

Stoich.:

A3B7C21D24 (1)

Weight, g/mol:

529.243753

ΔHf, kcal/mol:

3.99

Dipole, Da:

3.13

IP(EA), eV:

 -8.24(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(3E)-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-5-[5-[(carbamoylamino)methyl]-2-hydroxyphenyl]-4-oxocyclohexa-1,5-dien-1-yl]-N,N,2-trimethylpropanamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CNC(=O)N)C2=CC(=C/C(=C/3\NC4=C(N3)C=C(C=C4)C(=N)N)/C2=O)CC#N)O

DOS

IR

Vibrations