Geometry & MOs

Info

ID:

164174

PubChem CID:

74382176

Reduced:

SN4O4C31H32 (1)

Stoich.:

AB4C4D31E32 (1)

Weight, g/mol:

682.09761

ΔHf, kcal/mol:

-39.05

Dipole, Da:

3.63

IP(EA), eV:

 -8.45(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(ethylcarbamoyl)-6-hydroxy-5-(2-iodophenoxy)cyclohex-3-en-1-yl]-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide

Drug info:

PubChemData

Smile

C1CC1CNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4)NC5=CC=C(C=C5)CN6CC7CC6CO7

DOS

IR

Vibrations