Geometry & MOs

Info

ID:

375997

PubChem CID:

134221996

Reduced:

BrO3F6N8H25C33 (1)

Stoich.:

AB3C6D8E25F33 (1)

Weight, g/mol:

449.236622

ΔHf, kcal/mol:

-299.79

Dipole, Da:

10.13

IP(EA), eV:

 -9.54(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-(4-butoxy-5-fluoro-2-methylphenyl)-1-[(3E)-hexa-1,3,5-trien-2-yl]-6-methyl-2,3-dihydroindol-5-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1N2C=CC(=NC2=O)N)C(/C=C/C3=CC(=C(C=C3)C(=O)NCC4=CN=C(C=C4)C(F)(F)F)Br)C(F)(F)F)N5C=CC(=NC5=O)N

DOS

IR

Vibrations