Geometry & MOs

Info

ID:	182260
PubChem CID:	76865828
Reduced:	ClNSO3H18C20 (1)
Stoich.:	ABCD3E18F20 (1)
Weight, g/mol:	361.03473
ΔH_f, kcal/mol:	-28.52
Dipole, Da:	1.88
IP(EA), eV:	-9.02(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)C=CC(=O)N(CC2=CC=CO2)CC3=CC=CS3

DOS

IR

Vibrations