Geometry & MOs

Info

ID:	263030
PubChem CID:	103335043
Reduced:	S2N5C13H13 (1)
Stoich.:	A2B5C13D13 (1)
Weight, g/mol:	325.128255
ΔH_f, kcal/mol:	82.9
Dipole, Da:	4.94
IP(EA), eV:	-8.66(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-ethyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylbutan-1-ol

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1C)SC2=NC(=NC3=C2C=CS3)N)C

DOS

IR

Vibrations