Geometry & MOs

Info

ID:	322102
PubChem CID:	126668602
Reduced:	ISN2O3F4H15C21 (1)
Stoich.:	ABC2D3E4F15G21 (1)
Weight, g/mol:	359.05209
ΔH_f, kcal/mol:	-231.72
Dipole, Da:	6.04
IP(EA), eV:	-9.43(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-[3-[1-(4-bromophenyl)ethylamino]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

C1COC2=C([C@H]1C3=C(C=C(C=C3)C(F)(F)F)I)C=CC(=C2)S(=O)(=O)NC4=NC(=CC=C4)F

DOS

IR

Vibrations