Geometry & MOs

Info

ID:	56267
PubChem CID:	17422911
Reduced:	SN3O3C23H27 (1)
Stoich.:	AB3C3D23E27 (1)
Weight, g/mol:	349.97246
ΔH_f, kcal/mol:	-39.84
Dipole, Da:	3.52
IP(EA), eV:	-8.19(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4-bromophenoxy)ethyl]thieno[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)C(C1=CC=CC=C1)NCC(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations