Geometry & MOs

Info

ID:	140377
PubChem CID:	52687866
Reduced:	N2O3C31H36 (1)
Stoich.:	A2B3C31D36 (1)
Weight, g/mol:	379.02193
ΔH_f, kcal/mol:	-82.93
Dipole, Da:	4.59
IP(EA), eV:	-8.82(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[[2-(3-bromo-4-fluorophenyl)acetyl]amino]acetate

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N[C@H](CCCC2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCOC4=CC=CC=C4

DOS

IR

Vibrations