Geometry & MOs

Info

ID:	273692
PubChem CID:	103771752
Reduced:	BrSN2O2H11C12 (1)
Stoich.:	ABC2D2E11F12 (1)
Weight, g/mol:	340.97213
ΔH_f, kcal/mol:	-32.83
Dipole, Da:	1.69
IP(EA), eV:	-9.29(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(5-bromofuran-2-yl)-N-(2-hydroxy-2-thiophen-3-ylethyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)Br)C(=O)NCC(C2=CSC=C2)O

DOS

IR

Vibrations