Geometry & MOs

Info

ID:	188127
PubChem CID:	77669885
Reduced:	OSN5C19H23 (1)
Stoich.:	ABC5D19E23 (1)
Weight, g/mol:	432.06847
ΔH_f, kcal/mol:	40.35
Dipole, Da:	2.44
IP(EA), eV:	-8.97(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(dimethylamino)anilino]-2-oxoethyl] 3-(5-bromo-2-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C#N)SC1=NNC2N1C3CCCCC3C(=O)N2CC4=CC=CC=C4

DOS

IR

Vibrations