Geometry & MOs

Info

ID:	56559
PubChem CID:	17436304
Reduced:	S2O3N5H21C23 (1)
Stoich.:	A2B3C5D21E23 (1)
Weight, g/mol:	377.066797
ΔH_f, kcal/mol:	10.28
Dipole, Da:	4.25
IP(EA), eV:	-9.06(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothiolan-3-yl)-6-(4-fluorophenyl)-N-methylthieno[3,2-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CN1C=CN=C1C(=O)C2=CC(=NC3=CC=CC=C32)SC4=NC=C(C=C4)S(=O)(=O)N5CCCC5

DOS

IR

Vibrations