Geometry & MOs

Info

ID:	204861
PubChem CID:	80022498
Reduced:	NSO2C13H21 (1)
Stoich.:	ABC2D13E21 (1)
Weight, g/mol:	266.072513
ΔH_f, kcal/mol:	-114.11
Dipole, Da:	3.44
IP(EA), eV:	-8.74(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyl-3-sulfanylpropyl)-5-nitro-3H-indol-2-one

Drug info:

PubChemData

Smile

C1CCC(=O)N(C(=O)C1)CC2(CCCC2)CS

DOS

IR

Vibrations