Geometry & MOs

Info

ID:	167560
PubChem CID:	74845517
Reduced:	N3O4C11H19 (1)
Stoich.:	A3B4C11D19 (1)
Weight, g/mol:	535.225326
ΔH_f, kcal/mol:	-191.08
Dipole, Da:	3.72
IP(EA), eV:	-9.79(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-oxo-2-[[4-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propylfuran-2-carboxamide

Drug info:

PubChemData

Smile

CC1(OCC(O1)CNCC2CNC(=O)NC2=O)C

DOS

IR

Vibrations