Geometry & MOs

Info

ID:	153538
PubChem CID:	56312782
Reduced:	O2N4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	393.151098
ΔH_f, kcal/mol:	-15.71
Dipole, Da:	4.4
IP(EA), eV:	-8.89(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-oxo-2-(3-phenylbutylamino)ethyl]-1,3-thiazol-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(CCNC(=O)C1=NN(C(C1)C(=O)N)C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations