Geometry & MOs

Info

ID:	395207
PubChem CID:	135024907
Reduced:	O3C14H16 (1)
Stoich.:	A3B14C16 (1)
Weight, g/mol:	492.153266
ΔH_f, kcal/mol:	-95.55
Dipole, Da:	0.86
IP(EA), eV:	-9.53(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4,5-dimethoxy-2-nitrophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

Drug info:

PubChemData

Smile

COC(=O)CC[C@@H]1C=C[C@@H](O1)C2=CC=CC=C2

DOS

IR

Vibrations