Geometry & MOs

Info

ID:	229485
PubChem CID:	87567818
Reduced:	FN2O3H19C21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	285.00006
ΔH_f, kcal/mol:	-50.93
Dipole, Da:	7.74
IP(EA), eV:	-9.28(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

acetyl (2S)-2-amino-3-(4-bromophenyl)propanoate

Drug info:

PubChemData

Smile

C1CC1NC(=O)/C(=C\C2=CC=CC=C2/C=C/C(=O)NO)/C3=CC=C(C=C3)F

DOS

IR

Vibrations