Geometry & MOs

Info

ID:	89828
PubChem CID:	49964859
Reduced:	SO7H24C26 (1)
Stoich.:	AB7C24D26 (1)
Weight, g/mol:	259.132077
ΔH_f, kcal/mol:	-211.98
Dipole, Da:	3.37
IP(EA), eV:	-8.33(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]amino]pent-3-en-2-one

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)OS(=O)(=O)C5=CC=CC=C5

DOS

IR

Vibrations