Geometry & MOs

Info

ID:	56045
PubChem CID:	17403946
Reduced:	S2N3O3H15C16 (1)
Stoich.:	A2B3C3D15E16 (1)
Weight, g/mol:	362.030746
ΔH_f, kcal/mol:	-13.36
Dipole, Da:	4.49
IP(EA), eV:	-9.46(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-fluorophenyl)carbamoyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide

Drug info:

PubChemData

Smile

CN(CC(=O)NC1=C(C=CS1)C#N)S(=O)(=O)/C=C/C2=CC=CC=C2

DOS

IR

Vibrations