Geometry & MOs

Info

ID:	121693
PubChem CID:	50777963
Reduced:	ClSO2N4H15C20 (1)
Stoich.:	ABC2D4E15F20 (1)
Weight, g/mol:	414.035353
ΔH_f, kcal/mol:	22.19
Dipole, Da:	5.31
IP(EA), eV:	-9.58(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(3-chlorophenyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl]-2-fluorobenzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NCC2=CC(=O)N3C(=N2)SC(=N3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations