Geometry & MOs

Info

ID:

425718

PubChem CID:

135127599

Reduced:

NO2H19C30 (1)

Stoich.:

AB2C19D30 (1)

Weight, g/mol:

579.164636

ΔHf, kcal/mol:

68.85

Dipole, Da:

4.58

IP(EA), eV:

 -8.38(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 1-[4-[(3E,5E)-6-[3-[[(1R)-1-(4-chlorophenyl)ethoxy]carbonylamino]-5-fluorothiophen-2-yl]hepta-1,3,5-trien-3-yl]phenyl]cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2C=CC=C2)N3C4=CC=CC=C4C5=CC6=C(C=C53)C(=O)OC7=CC=CC=C76

DOS

IR

Vibrations