Geometry & MOs

Info

ID:	60400
PubChem CID:	26684327
Reduced:	OSN2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	411.051147
ΔH_f, kcal/mol:	-22.16
Dipole, Da:	2.69
IP(EA), eV:	-9.04(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)sulfanyl-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N(C(=S)N1)[C@H](C)C2=CC=CC=C2C

DOS

IR

Vibrations