Geometry & MOs

Info

ID:	243797
PubChem CID:	99239683
Reduced:	N3O4C22H23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	393.03758
ΔH_f, kcal/mol:	-76.86
Dipole, Da:	4.81
IP(EA), eV:	-9.75(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-3-[(4-bromo-2-fluorobenzoyl)amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CCOC(=O)C[C@@H](C1=CC=CC=C1)NC(=O)CCC2=NC(=NO2)C3=CC=CC=C3

DOS

IR

Vibrations