Geometry & MOs

Info

ID:	275968
PubChem CID:	103819551
Reduced:	BrClNO4C16H21 (1)
Stoich.:	ABCD4E16F21 (1)
Weight, g/mol:	499.0186
ΔH_f, kcal/mol:	-191.9
Dipole, Da:	2.87
IP(EA), eV:	-9.54(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(2-bromo-4-chlorophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

Drug info:

PubChemData

Smile

CCCN(C(C1=C(C=C(C=C1)Cl)Br)C(=O)O)C(=O)OC(C)(C)C

DOS

IR

Vibrations