Geometry & MOs

Info

ID:	56882
PubChem CID:	22394689
Reduced:	ClSO2N5C18H26 (1)
Stoich.:	ABC2D5E18F26 (1)
Weight, g/mol:	369.102624
ΔH_f, kcal/mol:	-43.84
Dipole, Da:	5.61
IP(EA), eV:	-8.49(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-1-(1-butylsulfonyl-5-chloroindol-3-yl)ethylideneamino]guanidine

Drug info:

PubChemData

Smile

CCCC/C(=N/N=C(N)N)/C1=CN(C2=C1C=C(C=C2)Cl)S(=O)(=O)CCCC

DOS

IR

Vibrations