Geometry & MOs

Info

ID:	268526
PubChem CID:	103599785
Reduced:	BrOS2N3C16H18 (1)
Stoich.:	ABC2D3E16F18 (1)
Weight, g/mol:	401.04088
ΔH_f, kcal/mol:	37.92
Dipole, Da:	1.55
IP(EA), eV:	-8.67(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromothiophen-3-yl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)N2CCCN(CC2)C(=O)C=CC3=CSC(=C3)Br

DOS

IR

Vibrations