Geometry & MOs

Info

ID:	30040
PubChem CID:	839081
Reduced:	N3O5C16H19 (1)
Stoich.:	A3B5C16D19 (1)
Weight, g/mol:	344.130697
ΔH_f, kcal/mol:	-84.08
Dipole, Da:	5.85
IP(EA), eV:	-9.41(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(4-methylphenyl)-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=C(C(=O)N([C@H]1C2=CC=C(C=C2)[N+](=O)[O-])CCN(C)C)O

DOS

IR

Vibrations