Geometry & MOs

Info

ID:	30819
PubChem CID:	841968
Reduced:	NOSC18H21 (1)
Stoich.:	ABCD18E21 (1)
Weight, g/mol:	338.999989
ΔH_f, kcal/mol:	-19.83
Dipole, Da:	2.66
IP(EA), eV:	-8.98(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-dichloro-N-[(1-methylpyrazol-4-yl)methyl]-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC[C@H](C1=CC=CC=C1)NC(=O)C2=CSC3=C2CCCC3

DOS

IR

Vibrations