Geometry & MOs

Info

ID:	217389
PubChem CID:	85087743
Reduced:	NO6C19H21 (1)
Stoich.:	AB6C19D21 (1)
Weight, g/mol:	359.116444
ΔH_f, kcal/mol:	-183.89
Dipole, Da:	4.51
IP(EA), eV:	-8.27(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[1-(1-methylimidazol-4-yl)sulfonylindol-3-yl]ethylideneamino]guanidine

Drug info:

PubChemData

Smile

COC1=C(C2=C3C(=C1)CCN3C(=O)C4C2CC(=O)C(=C4OC)OC)OC

DOS

IR

Vibrations