Geometry & MOs

Info

ID:	33243
PubChem CID:	7885610
Reduced:	NF2O5C21H21 (1)
Stoich.:	AB2C5D21E21 (1)
Weight, g/mol:	327.050004
ΔH_f, kcal/mol:	-255.52
Dipole, Da:	7.12
IP(EA), eV:	-9.24(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzothiazol-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)C2=C(C=CC(=C2)F)F

DOS

IR

Vibrations