Geometry & MOs

Info

ID:	279016
PubChem CID:	103840492
Reduced:	ClFNO4C14H17 (1)
Stoich.:	ABCD4E14F17 (1)
Weight, g/mol:	483.04815
ΔH_f, kcal/mol:	-238.41
Dipole, Da:	2.28
IP(EA), eV:	-9.75(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(2-bromo-4-fluorophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C1=C(C=CC(=C1)Cl)F

DOS

IR

Vibrations