Geometry & MOs

Info

ID:

315442

PubChem CID:

126626725

Reduced:

ClS7N10O22H31C37 (1)

Stoich.:

AB7C10D22E31F37 (1)

Weight, g/mol:

406.139194

ΔHf, kcal/mol:

-673.47

Dipole, Da:

7.53

IP(EA), eV:

 -9.11(-2.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[4-[[4-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)S(=O)(=O)CCOS(=O)(=O)O)NC2=NC(=NC(=N2)Cl)NC3=CC(=C(C=C3)S(=O)(=O)O)NNC4=C(C=C5C=C(/C(=N/NC6=C(C7=C(C=C6)C(=CC=C7)S(=O)(=O)O)S(=O)(=O)O)/C(=O)C5=C4N)S(=O)(=O)O)S(=O)(=O)O

DOS

IR

Vibrations