Geometry & MOs

Info

ID:	243798
PubChem CID:	99239687
Reduced:	BrFNO3H17C18 (1)
Stoich.:	ABCD3E17F18 (1)
Weight, g/mol:	359.153286
ΔH_f, kcal/mol:	-136.81
Dipole, Da:	3.42
IP(EA), eV:	-9.87(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CCOC(=O)C[C@@H](C1=CC=CC=C1)NC(=O)C2=C(C=C(C=C2)Br)F

DOS

IR

Vibrations