Geometry & MOs

Info

ID:	19162
PubChem CID:	555887
Reduced:	NSO3H11C16 (1)
Stoich.:	ABC3D11E16 (1)
Weight, g/mol:	297.045964
ΔH_f, kcal/mol:	-5.08
Dipole, Da:	3.92
IP(EA), eV:	-10.16(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzenesulfonyl)-3-(4-formylphenyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC=C(C=C2)C=O)C#N

DOS

IR

Vibrations