Geometry & MOs

Info

ID:	309809
PubChem CID:	126560117
Reduced:	SO3N4C23H24 (1)
Stoich.:	AB3C4D23E24 (1)
Weight, g/mol:	450.172562
ΔH_f, kcal/mol:	-59.66
Dipole, Da:	5.13
IP(EA), eV:	-8.11(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[3-anilino-6-methyl-6-(methylsulfanyloxymethyl)-4-oxo-5,7-dihydro-1H-indol-2-yl]pyridin-2-yl]acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1=NC=CC(=C1)C2=C(C3=C(N2)C[C@@H](CC3=O)COSC)NC4=CC=CC=C4

DOS

IR

Vibrations