Geometry & MOs

Info

ID:	225731
PubChem CID:	87225404
Reduced:	O2C7H14 (1)
Stoich.:	A2B7C14 (1)
Weight, g/mol:	690.223861
ΔH_f, kcal/mol:	-86.46
Dipole, Da:	1.87
IP(EA), eV:	-10.64(1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3E)-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-5-(2-hydroxy-5-sulfamoylphenyl)-4-oxocyclohexa-1,5-dien-1-yl]-N-[3-[2-(2-ethoxyethoxy)ethoxy]propyl]acetamide;hydrochloride

Drug info:

PubChemData

Smile

CCC(C)CC1(CO1)O

DOS

IR

Vibrations