Geometry & MOs

Info

ID:	342550
PubChem CID:	127265705
Reduced:	NSCl2O2C10H11 (1)
Stoich.:	ABC2D2E10F11 (1)
Weight, g/mol:	253.11365
ΔH_f, kcal/mol:	-59.51
Dipole, Da:	4.86
IP(EA), eV:	-9.61(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-hydroxy-2-methylpentan-2-yl)-3-thiophen-2-ylprop-2-enamide

Drug info:

PubChemData

Smile

CC=CCS(=O)(=O)CC1=C(C=C(C=N1)Cl)Cl

DOS

IR

Vibrations