Geometry & MOs

Info

ID:	273663
PubChem CID:	103771631
Reduced:	BrClNO2C13H17 (1)
Stoich.:	ABCD2E13F17 (1)
Weight, g/mol:	211.0667
ΔH_f, kcal/mol:	-101.07
Dipole, Da:	3.04
IP(EA), eV:	-9.68(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(2-hydroxy-2-thiophen-3-ylethyl)but-2-enamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)C1=C(C=C(C=C1)Cl)Br)O

DOS

IR

Vibrations