Geometry & MOs

Info

ID:	197623
PubChem CID:	78983840
Reduced:	BrN2S2H9C12 (1)
Stoich.:	AB2C2D9E12 (1)
Weight, g/mol:	343.99426
ΔH_f, kcal/mol:	84.33
Dipole, Da:	2.51
IP(EA), eV:	-8.5(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-5-[(3-bromothiophen-2-yl)methylamino]-1-ethylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CN=C(C2=C1SC=C2)NCC3=C(C=CS3)Br

DOS

IR

Vibrations