Geometry & MOs

Info

ID:	415396
PubChem CID:	135088390
Reduced:	O2N6C13H18 (1)
Stoich.:	A2B6C13D18 (1)
Weight, g/mol:	359.166748
ΔH_f, kcal/mol:	-5.1
Dipole, Da:	2.39
IP(EA), eV:	-9.33(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-3-oxopropyl]-4-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@@H]2O)C(=O)C3=NNN=C3C

DOS

IR

Vibrations