Geometry & MOs

Info

ID:	269224
PubChem CID:	103616445
Reduced:	NSO3C14H19 (1)
Stoich.:	ABC3D14E19 (1)
Weight, g/mol:	284.144616
ΔH_f, kcal/mol:	-93.81
Dipole, Da:	6.42
IP(EA), eV:	-9.48(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-4-(2-propylsulfonylethoxy)benzene

Drug info:

PubChemData

Smile

CC(C)CCS(=O)(=O)CCOC1=CC=C(C=C1)C#N

DOS

IR

Vibrations