Geometry & MOs

Info

ID:	208565
PubChem CID:	80545907
Reduced:	ClSN3C13H20 (1)
Stoich.:	ABC3D13E20 (1)
Weight, g/mol:	276.172545
ΔH_f, kcal/mol:	-2.89
Dipole, Da:	6.67
IP(EA), eV:	-8.77(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-4-(4-tert-butyl-2-methylphenoxy)but-2-enoate

Drug info:

PubChemData

Smile

CC1(CCCCC1NC2=CC(=NC(=N2)SC)Cl)C

DOS

IR

Vibrations