Geometry & MOs

Info

ID:	32385
PubChem CID:	7742978
Reduced:	BrSN2O4H13C16 (1)
Stoich.:	ABC2D4E13F16 (1)
Weight, g/mol:	348.042477
ΔH_f, kcal/mol:	-88.65
Dipole, Da:	3.71
IP(EA), eV:	-9.22(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-2-(2-methylprop-2-enylsulfanyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C[C@H](C(=O)OCC1=CC(=O)N2C=CSC2=N1)OC3=CC=C(C=C3)Br

DOS

IR

Vibrations