Geometry & MOs

Info

ID:	65310
PubChem CID:	29212040
Reduced:	O3N4C19H26 (1)
Stoich.:	A3B4C19D26 (1)
Weight, g/mol:	440.188212
ΔH_f, kcal/mol:	-11.72
Dipole, Da:	9.21
IP(EA), eV:	-9.01(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@]1\2CC[C@@H](C1(C)C)C/C2=N/NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N(C)C

DOS

IR

Vibrations