Geometry & MOs

Info

ID:	414181
PubChem CID:	135087137
Reduced:	NSO3C11H15 (1)
Stoich.:	ABC3D11E15 (1)
Weight, g/mol:	223.063329
ΔH_f, kcal/mol:	-87.75
Dipole, Da:	5.53
IP(EA), eV:	-9.6(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-benzoyl-3-(furan-3-yl)prop-2-enenitrile

Drug info:

PubChemData

Smile

C/C=C\CNS(=O)(=O)C1=CC=C(C=C1)OC

DOS

IR

Vibrations