Geometry & MOs

Info

ID:	263014
PubChem CID:	103333777
Reduced:	SN3C5H5 (2)
Stoich.:	AB3C5D5 (2)
Weight, g/mol:	317.065654
ΔH_f, kcal/mol:	116.03
Dipole, Da:	4.5
IP(EA), eV:	-8.61(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-4-(4-methoxyphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1=CSC2=NC(=NC(=C21)NCC3=CSC=N3)NN

DOS

IR

Vibrations