Geometry & MOs

Info

ID:	392088
PubChem CID:	135012758
Reduced:	ClNSO4C13H16 (1)
Stoich.:	ABCD4E13F16 (1)
Weight, g/mol:	312.153444
ΔH_f, kcal/mol:	-140.79
Dipole, Da:	2.53
IP(EA), eV:	-10.02(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[(3E)-3-[(cyclohexylamino)methylidene]-1-methylindol-1-ium-2-yl]sulfanylacetonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C(C(C=C)C1=CN=C(C=C1)Cl)S(=O)(=O)C

DOS

IR

Vibrations