Geometry & MOs

Info

ID:	55807
PubChem CID:	17396593
Reduced:	SO2N3H15C17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	331.054611
ΔH_f, kcal/mol:	17.95
Dipole, Da:	5.16
IP(EA), eV:	-9.17(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)NC(=O)C2=CC=C(C=C2)OCC3=CSC=N3

DOS

IR

Vibrations