Geometry & MOs

Info

ID:	177857
PubChem CID:	76245077
Reduced:	O3N6C22H26 (1)
Stoich.:	A3B6C22D26 (1)
Weight, g/mol:	451.04529
ΔH_f, kcal/mol:	-45.32
Dipole, Da:	7.71
IP(EA), eV:	-9.66(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromo-2-methoxyphenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CC1N2C3C(CC(CN3)C(=O)NCC4=CC=CC=C4CN5C=CN=C5)C(=O)NC2=O

DOS

IR

Vibrations