Geometry & MOs

Info

ID:	394955
PubChem CID:	135024258
Reduced:	S2O3N4C23H32 (1)
Stoich.:	A2B3C4D23E32 (1)
Weight, g/mol:	260.098334
ΔH_f, kcal/mol:	-64.57
Dipole, Da:	2.01
IP(EA), eV:	-8.55(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-dimethyl-7-methylsulfanyl-2-oxoindol-3-yl)propanenitrile

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=NCCN3CCOCC3)S2)CCN4CCOCC4

DOS

IR

Vibrations