Geometry & MOs

Info

ID:	175924
PubChem CID:	75968788
Reduced:	O6H20C23 (1)
Stoich.:	A6B20C23 (1)
Weight, g/mol:	321.076786
ΔH_f, kcal/mol:	-174.31
Dipole, Da:	0.98
IP(EA), eV:	-9.26(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-chlorophenyl)-3-(furan-2-ylmethylamino)-4-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(=O)OC1=CC=C(C=C1)C=CC(=O)CC(=O)C=CC2=CC=C(C=C2)OC(=O)C

DOS

IR

Vibrations