Geometry & MOs

Info

ID:	30389
PubChem CID:	841242
Reduced:	N2O2C17H18 (1)
Stoich.:	A2B2C17D18 (1)
Weight, g/mol:	336.069927
ΔH_f, kcal/mol:	-20.28
Dipole, Da:	6.71
IP(EA), eV:	-8.88(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(4-chloro-2-methylphenoxy)-N-(1-thiophen-2-ylethylideneamino)propanamide

Drug info:

PubChemData

Smile

CC/C(=C/C(=O)C1=CN=CC=C1)/NC2=CC=C(C=C2)OC

DOS

IR

Vibrations