Geometry & MOs

Info

ID:	198995
PubChem CID:	79186455
Reduced:	SN3O3C14H17 (1)
Stoich.:	AB3C3D14E17 (1)
Weight, g/mol:	294.103814
ΔH_f, kcal/mol:	-77.78
Dipole, Da:	9.15
IP(EA), eV:	-9.35(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2,2-dimethylmorpholin-4-yl)sulfonylphenyl]acetonitrile

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N)S(=O)(=O)C2=CC=C(C=C2)CC#N

DOS

IR

Vibrations