Geometry & MOs

Info

ID:	182332
PubChem CID:	76876118
Reduced:	SN3O4C13H17 (1)
Stoich.:	AB3C4D13E17 (1)
Weight, g/mol:	345.03644
ΔH_f, kcal/mol:	-154.61
Dipole, Da:	4.94
IP(EA), eV:	-9.22(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromophenyl)methyl]-3-(4-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC=CC=C1NC(=O)C2CCC(=O)NC2

DOS

IR

Vibrations