Geometry & MOs

Info

ID:	190990
PubChem CID:	78091351
Reduced:	BrN2O3H13C16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	496.330108
ΔH_f, kcal/mol:	-14.96
Dipole, Da:	3.6
IP(EA), eV:	-9.14(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-(docosa-4,7,10,13,16,19-hexaenoylamino)propylamino]-4-oxobut-2-enoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNC(=O)C(=CC2=CC(=CO2)Br)C#N

DOS

IR

Vibrations