Geometry & MOs

Info

ID:	299601
PubChem CID:	117688118
Reduced:	N5O8C32H37 (1)
Stoich.:	A5B8C32D37 (1)
Weight, g/mol:	403.073512
ΔH_f, kcal/mol:	-248.69
Dipole, Da:	6.15
IP(EA), eV:	-8.71(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorophenyl)-3-[[2-(4-fluorophenyl)-3-oxo-1H-pyrazole-5-carbonyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(=O)NC(CNC(=O)COC2CC(N(C2)OC(=O)OCC3=CC=CC=C3)CNC4=CC=CC=N4)C(=O)O)C

DOS

IR

Vibrations