Geometry & MOs

Info

ID:	70213
PubChem CID:	47211706
Reduced:	OSN4C14H14 (1)
Stoich.:	ABC4D14E14 (1)
Weight, g/mol:	295.043378
ΔH_f, kcal/mol:	49.97
Dipole, Da:	6.27
IP(EA), eV:	-8.96(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[(5-ethylthiophen-2-yl)methyl]-4-hydroxybenzamide

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)CNC(=O)C2=C3N=CC=CN3N=C2

DOS

IR

Vibrations