Geometry & MOs

Info

ID:	131378
PubChem CID:	51198986
Reduced:	SN3O3C19H19 (1)
Stoich.:	AB3C3D19E19 (1)
Weight, g/mol:	340.099397
ΔH_f, kcal/mol:	0.97
Dipole, Da:	8.99
IP(EA), eV:	-8.67(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetamido-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)/C=C/C(=O)NC2=CC=NN2CC3=CSC=C3

DOS

IR

Vibrations