Geometry & MOs

Info

ID:	33439
PubChem CID:	7886475
Reduced:	SF2O2N3H15C18 (1)
Stoich.:	AB2C2D3E15F18 (1)
Weight, g/mol:	414.037581
ΔH_f, kcal/mol:	-76.21
Dipole, Da:	3.29
IP(EA), eV:	-9.03(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-cyanophenyl)-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=CC=C(C=C3)F

DOS

IR

Vibrations