Geometry & MOs

Info

ID:	425661
PubChem CID:	135127218
Reduced:	NC19H21 (2)
Stoich.:	AB19C21 (2)
Weight, g/mol:	299.098
ΔH_f, kcal/mol:	71.92
Dipole, Da:	3.01
IP(EA), eV:	-8.57(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-ethylphenyl)-2-(4-methylphenyl)sulfonylacetonitrile

Drug info:

PubChemData

Smile

CCC(C)C1=C(C2=C(C=C1)C3=CC=CC=C3C2(C)C)C4=NC5=CC=CC=C5N4C6=C(C=CC=C6C(C)C)C(C)C

DOS

IR

Vibrations