Geometry & MOs

Info

ID:	279017
PubChem CID:	103840521
Reduced:	BrFNO4H19C24 (1)
Stoich.:	ABCD4E19F24 (1)
Weight, g/mol:	391.141973
ΔH_f, kcal/mol:	-152.02
Dipole, Da:	3.22
IP(EA), eV:	-8.97(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3-methylfuran-2-yl)propanoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CC(=O)O)C4=C(C=C(C=C4)F)Br

DOS

IR

Vibrations