Geometry & MOs

Info

ID:

327667

PubChem CID:

126690688

Reduced:

SF3N3O7H38C40 (1)

Stoich.:

AB3C3D7E38F40 (1)

Weight, g/mol:

739.286921

ΔHf, kcal/mol:

-347.68

Dipole, Da:

4.43

IP(EA), eV:

 -9.1(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]-[(2E,4E)-2-methyl-5-[methyl-[4-(4-methylphenyl)benzoyl]amino]hepta-2,4,6-trienyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)N(C)C3=CC=C(C=C3)CN(CC(O)O)C(=O)C4=CC=C(C=C4)NC(=O)CC5=C(C=C(C=C5)OC)C(F)(F)F

DOS

IR

Vibrations