Geometry & MOs

Info

ID:	33441
PubChem CID:	7886485
Reduced:	FSO2N4H15C17 (1)
Stoich.:	ABC2D4E15F17 (1)
Weight, g/mol:	407.03291
ΔH_f, kcal/mol:	-14.82
Dipole, Da:	4.68
IP(EA), eV:	-9.33(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-4-fluorophenyl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetamide

Drug info:

PubChemData

Smile

CCN(C1=CC=C(C=C1)F)C(=O)CSC2=NN=C(O2)C3=CN=CC=C3

DOS

IR

Vibrations