Geometry & MOs

Info

ID:	355057
PubChem CID:	127287918
Reduced:	O3N4C17H20 (1)
Stoich.:	A3B4C17D20 (1)
Weight, g/mol:	282.115047
ΔH_f, kcal/mol:	-95.01
Dipole, Da:	8.31
IP(EA), eV:	-9.63(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)N(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)[C@H]3CCC(=O)N3

DOS

IR

Vibrations