Geometry & MOs

Info

ID:	401114
PubChem CID:	135050201
Reduced:	BrNaO3C14H14 (1)
Stoich.:	ABC3D14E14 (1)
Weight, g/mol:	249.118735
ΔH_f, kcal/mol:	-142.96
Dipole, Da:	7.78
IP(EA), eV:	-8.36(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-(4-methylphenyl)-3-methylsulfanyl-3-(propan-2-ylamino)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=C(C(C(OC1=O)C2=CC=C(C=C2)Br)(C)C)[O-].[Na+]

DOS

IR

Vibrations