Geometry & MOs

Info

ID:	34027
PubChem CID:	7889476
Reduced:	O2S2N3H19C20 (1)
Stoich.:	A2B2C3D19E20 (1)
Weight, g/mol:	335.93905
ΔH_f, kcal/mol:	19.21
Dipole, Da:	4.58
IP(EA), eV:	-8.69(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-bromophenyl)methylsulfanyl]thieno[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)[C@@H](C)SC3=NC=NC4=C3C=CS4

DOS

IR

Vibrations