Geometry & MOs

Info

ID:	214199
PubChem CID:	84974598
Reduced:	O2N4C16H23 (1)
Stoich.:	A2B4C16D23 (1)
Weight, g/mol:	424.193297
ΔH_f, kcal/mol:	-26.85
Dipole, Da:	2.9
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755006
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide

Drug info:

PubChemData

Smile

CCCNC(=O)C[NH+](C)C(C)C(=O)NC1=CC=CC=C1C#N

DOS

IR

Vibrations