Geometry & MOs

Info

ID:	227423
PubChem CID:	87561729
Reduced:	OSN2C19H26 (1)
Stoich.:	ABC2D19E26 (1)
Weight, g/mol:	266.064447
ΔH_f, kcal/mol:	27.56
Dipole, Da:	3.36
IP(EA), eV:	-8.63(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-2-(2-methylpropyl)-1H-indole-5-carbothioamide

Drug info:

PubChemData

Smile

C1CC2C3CC=C(C3C=CC2C4C1CC5C(C4)CNN5)C(=O)S

DOS

IR

Vibrations