Geometry & MOs

Info

ID:	204630
PubChem CID:	79989762
Reduced:	BrFSN3H11C14 (1)
Stoich.:	ABCD3E11F14 (1)
Weight, g/mol:	280.124549
ΔH_f, kcal/mol:	43.82
Dipole, Da:	1.32
IP(EA), eV:	-8.8(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-5-(3-hydroxyprop-1-ynyl)-N,4-dimethylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C2=C(C(=NN2)N)C3=CC=C(C=C3)F)Br

DOS

IR

Vibrations