Geometry & MOs

Info

ID:	60749
PubChem CID:	26699595
Reduced:	ClS2N4O4C21H23 (1)
Stoich.:	AB2C4D4E21F23 (1)
Weight, g/mol:	357.051634
ΔH_f, kcal/mol:	-94.54
Dipole, Da:	7.14
IP(EA), eV:	-8.9(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(7-chloro-1,3-benzodioxol-5-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C=N2)NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCCC4)C

DOS

IR

Vibrations