Geometry & MOs

Info

ID:	343243
PubChem CID:	127266416
Reduced:	ClPN2H18C20 (1)
Stoich.:	ABC2D18E20 (1)
Weight, g/mol:	378.058711
ΔH_f, kcal/mol:	52.89
Dipole, Da:	3.03
IP(EA), eV:	-8.8(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethanimidamide;ethyl 5-methyl-4-oxo-2-(sulfanylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylate;hydrochloride

Drug info:

PubChemData

Smile

CC1=C(N2C=CC=CC2=N1)P(C3=CC=CC=C3)C4=CC=CC=C4.Cl

DOS

IR

Vibrations