Geometry & MOs

Info

ID:	403438
PubChem CID:	135060316
Reduced:	FN2H25C28 (1)
Stoich.:	AB2C25D28 (1)
Weight, g/mol:	349.11365
ΔH_f, kcal/mol:	28.88
Dipole, Da:	4.33
IP(EA), eV:	-8.48(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[(E)-methylsulfanyl-(2-oxo-3,4-dihydronaphthalen-1-ylidene)methyl]-3H-indol-2-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC3=C2C(=CC(=N3)C4=CC=C(C=C4)F)C5=CC=C(C=C5)C(C)(C)C

DOS

IR

Vibrations