Geometry & MOs

Info

ID:	62668
PubChem CID:	26732639
Reduced:	FN2O4H17C20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	428.03717
ΔH_f, kcal/mol:	-118.64
Dipole, Da:	3.36
IP(EA), eV:	-9.23(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]-2-cyanoprop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/C1=CC=C(C=C1)NC(=O)COC2=CC=CC=C2F)/C#N

DOS

IR

Vibrations