Geometry & MOs

Info

ID:	56883
PubChem CID:	22394690
Reduced:	ClSO2N5C15H20 (1)
Stoich.:	ABC2D5E15F20 (1)
Weight, g/mol:	379.147824
ΔH_f, kcal/mol:	-28.6
Dipole, Da:	4.27
IP(EA), eV:	-8.46(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-[(1-butylsulfonyl-6-fluoroindol-3-yl)-cyclopropylmethylidene]amino]guanidine

Drug info:

PubChemData

Smile

CCCCS(=O)(=O)N1C=C(C2=C1C=CC(=C2)Cl)/C(=N/N=C(N)N)/C

DOS

IR

Vibrations