Geometry & MOs

Info

ID:

383352

PubChem CID:

134975026

Reduced:

N2H22C25 (1)

Stoich.:

A2B22C25 (1)

Weight, g/mol:

690.131034

ΔHf, kcal/mol:

85.94

Dipole, Da:

2.95

IP(EA), eV:

 -8.05(0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

2-[2-[[6'-[2-(2-azaniumylethyldisulfanyl)ethoxycarbonylamino]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl]carbamoyloxy]ethyldisulfanyl]ethylazanium

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C2=CNC3=CC=CC=C32)C4=C(NC5=CC=CC=C54)C

DOS

IR

Vibrations