Geometry & MOs

Info

ID:	262933
PubChem CID:	103329897
Reduced:	BrClSN4H12C14 (1)
Stoich.:	ABCD4E12F14 (1)
Weight, g/mol:	310.128589
ΔH_f, kcal/mol:	64.67
Dipole, Da:	3.04
IP(EA), eV:	-8.47(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N,6-diethyl-4-N-(2-methylsulfanylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)NC2=C3C=CSC3=NC(=N2)NC)Br

DOS

IR

Vibrations