Geometry & MOs

Info

ID:	30513
PubChem CID:	841437
Reduced:	N2S2O4C11H16 (1)
Stoich.:	A2B2C4D11E16 (1)
Weight, g/mol:	341.00251
ΔH_f, kcal/mol:	-139.83
Dipole, Da:	0.95
IP(EA), eV:	-10.15(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-iodo-N-[(1-methylpyrazol-4-yl)methyl]benzamide

Drug info:

PubChemData

Smile

C1CCC(C1)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N

DOS

IR

Vibrations