Geometry & MOs

Info

ID:	236981
PubChem CID:	92716596
Reduced:	SO2N5C16H21 (1)
Stoich.:	AB2C5D16E21 (1)
Weight, g/mol:	431.118274
ΔH_f, kcal/mol:	-32.47
Dipole, Da:	1.97
IP(EA), eV:	-9.05(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=O)N2C(=N1)SC(=N2)N3CCC[C@H]3C(=O)N4CCCCC4

DOS

IR

Vibrations