Geometry & MOs

Info

ID:	309808
PubChem CID:	126560096
Reduced:	OSN7H23C26 (1)
Stoich.:	ABC7D23E26 (1)
Weight, g/mol:	436.156912
ΔH_f, kcal/mol:	187.68
Dipole, Da:	9.23
IP(EA), eV:	-8.46(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(6S)-3-anilino-6-(methylsulfanyloxymethyl)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]pyridin-2-yl]acetamide

Drug info:

PubChemData

Smile

CN(C)CCOC1=CN=CC(=C1)C2=NC\3=C(C=C2)NN/C3=C/4\N=C5C=CC=C(C5=N4)C6=CC=CS6

DOS

IR

Vibrations