Geometry & MOs

Info

ID:	70810
PubChem CID:	48413900
Reduced:	OSN4H14C15 (1)
Stoich.:	ABC4D14E15 (1)
Weight, g/mol:	307.099063
ΔH_f, kcal/mol:	50.79
Dipole, Da:	3.75
IP(EA), eV:	-9.41(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(methylsulfonylmethyl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CSC(=N2)C3=CC=CC=C3

DOS

IR

Vibrations