Geometry & MOs

Info

ID:	217456
PubChem CID:	85087852
Reduced:	ClSN5O6C10H12 (1)
Stoich.:	ABC5D6E10F12 (1)
Weight, g/mol:	370.145261
ΔH_f, kcal/mol:	-173.74
Dipole, Da:	3.62
IP(EA), eV:	-10.09(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoylamino]pyrazolidine-3-carboxylate

Drug info:

PubChemData

Smile

C1=C2C(=NC(=N1)Cl)N(C=N2)C3C(C(C(O3)COS(=O)(=O)N)O)O

DOS

IR

Vibrations