Geometry & MOs

Info

ID:	27161
PubChem CID:	816964
Reduced:	OSN3C10H11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	345.078327
ΔH_f, kcal/mol:	-11.19
Dipole, Da:	4.23
IP(EA), eV:	-8.45(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-cyano-3-[5-[[(4-methylphenyl)sulfonylamino]methyl]furan-2-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1NC(=O)C)N=C(S2)N

DOS

IR

Vibrations