Geometry & MOs

Info

ID:	200066
PubChem CID:	79342760
Reduced:	ClN2O2C16H19 (1)
Stoich.:	AB2C2D16E19 (1)
Weight, g/mol:	314.00885
ΔH_f, kcal/mol:	-64.25
Dipole, Da:	8.22
IP(EA), eV:	-8.83(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-5-bromo-6-tert-butylsulfanyl-1,3-dihydroindol-2-one

Drug info:

PubChemData

Smile

CCCC1CCN(CC1)C2=C(C=C3C(=C2)NC(=O)C3=O)Cl

DOS

IR

Vibrations