Geometry & MOs

Info

ID:	375893
PubChem CID:	134221887
Reduced:	BrNOCl2F3H15C19 (1)
Stoich.:	ABCD2E3F15G19 (1)
Weight, g/mol:	447.257358
ΔH_f, kcal/mol:	-156.71
Dipole, Da:	4.34
IP(EA), eV:	-8.65(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(3E)-3,5-dimethylhexa-1,3,5-trien-2-yl]-4-(3-ethyl-5-fluoro-2,4-dimethylphenyl)-6-methyl-2,3-dihydroindol-5-yl]acetic acid

Drug info:

PubChemData

Smile

CCOC(=N)C1=C(C=C(C=C1)/C=C/C(C2=CC(=CC(=C2)Cl)Cl)C(F)(F)F)Br

DOS

IR

Vibrations