Geometry & MOs

Info

ID:	381736
PubChem CID:	134972554
Reduced:	BrOH13C15 (1)
Stoich.:	ABC13D15 (1)
Weight, g/mol:	507.181251
ΔH_f, kcal/mol:	18.09
Dipole, Da:	1.81
IP(EA), eV:	-9.23(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2R)-3-(3-chloro-4-methoxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/[C@H](C2=CC=CC=C2Br)O

DOS

IR

Vibrations