Geometry & MOs

Info

ID:	62191
PubChem CID:	26717919
Reduced:	NSO5C19H19 (1)
Stoich.:	ABC5D19E19 (1)
Weight, g/mol:	411.051147
ΔH_f, kcal/mol:	-176.11
Dipole, Da:	3.74
IP(EA), eV:	-9.16(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)OC(=O)CSC2=CC=C(C=C2)NC(=O)C

DOS

IR

Vibrations