Geometry & MOs

Info

ID:	262983
PubChem CID:	103332534
Reduced:	BrSN5C14H14 (1)
Stoich.:	ABC5D14E14 (1)
Weight, g/mol:	289.034354
ΔH_f, kcal/mol:	92.49
Dipole, Da:	5.28
IP(EA), eV:	-8.45(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=CC2=C(N=C(N=C2S1)NN)NCC3=CC=CC=C3Br

DOS

IR

Vibrations