Geometry & MOs

Info

ID:	201552
PubChem CID:	79555689
Reduced:	ClO2N5C13H16 (1)
Stoich.:	AB2C5D13E16 (1)
Weight, g/mol:	327.080826
ΔH_f, kcal/mol:	61.43
Dipole, Da:	3.83
IP(EA), eV:	-9.04(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-2-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propane-1-sulfonamide

Drug info:

PubChemData

Smile

CCCNCC1=CN(N=N1)CC2=C(C=CC(=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations