Geometry & MOs

Info

ID:	262908
PubChem CID:	103329125
Reduced:	S2N4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	322.128589
ΔH_f, kcal/mol:	57.84
Dipole, Da:	4.1
IP(EA), eV:	-8.2(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(N=C(N=C2S1)N)NCC(C)(C)C3=CC=CS3

DOS

IR

Vibrations