Geometry & MOs

Info

ID:	275978
PubChem CID:	103819661
Reduced:	FNO5H16C18 (1)
Stoich.:	ABC5D16E18 (1)
Weight, g/mol:	395.032728
ΔH_f, kcal/mol:	-209.71
Dipole, Da:	2.26
IP(EA), eV:	-9.88(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,4-dichlorophenyl)-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)NC(CC(=O)C2=CC=CC=C2F)C(=O)O

DOS

IR

Vibrations