Geometry & MOs

Info

ID:	131810
PubChem CID:	51263933
Reduced:	SO2N6C17H20 (1)
Stoich.:	AB2C6D17E20 (1)
Weight, g/mol:	330.060903
ΔH_f, kcal/mol:	60.14
Dipole, Da:	6.36
IP(EA), eV:	-9.03(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-benzylacetamide

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CSC2=NN=C(N2CC3=CC=CC=C3)N4CCOCC4

DOS

IR

Vibrations