Geometry & MOs

Info

ID:	302664
PubChem CID:	124391811
Reduced:	ClSO2N5C25H30 (1)
Stoich.:	ABC2D5E25F30 (1)
Weight, g/mol:	397.091
ΔH_f, kcal/mol:	-36.72
Dipole, Da:	7.12
IP(EA), eV:	-8.74(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[2-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-6-nitrophenoxy]propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)CSC2=NN=C(N2C)[C@H](CC(C)C)NC(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations