Geometry & MOs

Info

ID:	224587
PubChem CID:	85345098
Reduced:	NO2C16H23 (1)
Stoich.:	AB2C16D23 (1)
Weight, g/mol:	266.097666
ΔH_f, kcal/mol:	-63.67
Dipole, Da:	2.29
IP(EA), eV:	-8.96(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(4-methylphenyl)sulfinylprop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)CN(CCC=C)C(C)C1=CC=CC=C1

DOS

IR

Vibrations