Geometry & MOs

Info

ID:	375909
PubChem CID:	134221905
Reduced:	BrNCl2F3O3H15C20 (1)
Stoich.:	ABC2D3E3F15G20 (1)
Weight, g/mol:	439.215887
ΔH_f, kcal/mol:	-261.23
Dipole, Da:	6.46
IP(EA), eV:	-10.02(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2,2-dimethylpropanoyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-5-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1Cl)C(/C=C/C2=CC(=C(C=C2)C(=O)NCC(=O)O)Br)C(F)(F)F)Cl

DOS

IR

Vibrations