Geometry & MOs

Info

ID:	184394
PubChem CID:	77155160
Reduced:	FON4C26H27 (1)
Stoich.:	ABC4D26E27 (1)
Weight, g/mol:	475.166269
ΔH_f, kcal/mol:	-16.85
Dipole, Da:	4.42
IP(EA), eV:	-8.36(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[[3-(2-aminopropan-2-yl)anilino]-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C1=CC=C(C=C1)NC(=C2C3=C(C=C(C=C3)F)NC2=O)C4=CC=CC(=C4)CCN)N

DOS

IR

Vibrations