Geometry & MOs

Info

ID:

191232

PubChem CID:

78121275

Reduced:

ClON6C25H25 (1)

Stoich.:

ABC6D25E25 (1)

Weight, g/mol:

568.097408

ΔHf, kcal/mol:

80.44

Dipole, Da:

5.26

IP(EA), eV:

 -8.79(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]carbamothioyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC#CCN1C(=O)C2=C(C=CN2CC3=NC4=C(C=CC(=C4)Cl)C=C3)N=C1N5CCCC(C5)N

DOS

IR

Vibrations