Geometry & MOs

Info

ID:	171588
PubChem CID:	75399606
Reduced:	ClFSN3O4H15C18 (1)
Stoich.:	ABCD3E4F15G18 (1)
Weight, g/mol:	399.04437
ΔH_f, kcal/mol:	-142.37
Dipole, Da:	2.12
IP(EA), eV:	-9.29(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-hydroxyethyl)-3,5-dimethylpyrazol-1-yl]-N-(4-iodophenyl)acetamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=C(C=CC(=C1)F)NC(=O)CC2=COC(=N2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations