Geometry & MOs

Info

ID:

225675

PubChem CID:

87225348

Reduced:

O7N8C30H32 (1)

Stoich.:

A7B8C30D32 (1)

Weight, g/mol:

624.163848

ΔHf, kcal/mol:

-216.64

Dipole, Da:

9.04

IP(EA), eV:

 -8.46(-1.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[(3E)-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-5-(2-hydroxy-5-sulfamoylphenyl)-4-oxocyclohexa-1,5-dien-1-yl]-2-methylpropanoyl]amino]butanedioic acid

Drug info:

PubChemData

Smile

CC(C)(C1=C/C(=C\2/NC3=C(N2)C=C(C=C3)C(=N)N)/C(=O)C(=C1)C4=C(C=CC(=C4)CNC(=O)N)O)C(=O)NC(CC(=O)N)C(=O)O

DOS

IR

Vibrations