Geometry & MOs

Info

ID:	206791
PubChem CID:	80303218
Reduced:	NS2O4C14H15 (1)
Stoich.:	AB2C4D14E15 (1)
Weight, g/mol:	355.07831
ΔH_f, kcal/mol:	-135.62
Dipole, Da:	5.02
IP(EA), eV:	-9.4(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(5-bromo-2-methoxyphenyl)-N-(2-ethyl-4-hydroxybutyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)CC2=NC(=CS2)C)C

DOS

IR

Vibrations