Geometry & MOs

Info

ID:	244244
PubChem CID:	99319564
Reduced:	FN2O4H23C26 (1)
Stoich.:	AB2C4D23E26 (1)
Weight, g/mol:	404.05357
ΔH_f, kcal/mol:	-150.06
Dipole, Da:	5.34
IP(EA), eV:	-9.8(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-bromophenyl)-N-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1[C@@H](OC(=O)C2=C1C=C(C=C2)C(=O)NCCNC(=O)CC3=CC(=CC=C3)F)C4=CC=CC=C4

DOS

IR

Vibrations