Geometry & MOs

Info

ID:	262847
PubChem CID:	103322744
Reduced:	ClSN5C13H14 (1)
Stoich.:	ABC5D13E14 (1)
Weight, g/mol:	307.029459
ΔH_f, kcal/mol:	80.0
Dipole, Da:	4.14
IP(EA), eV:	-8.79(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(N=C(N=C2S1)Cl)NCCC3=CC=NN3C

DOS

IR

Vibrations