Geometry & MOs

Info

ID:	132267
PubChem CID:	51332495
Reduced:	NOH15C17 (1)
Stoich.:	ABC15D17 (1)
Weight, g/mol:	381.151098
ΔH_f, kcal/mol:	50.04
Dipole, Da:	4.37
IP(EA), eV:	-9.33(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[3-(1,3-benzothiazol-2-yl)propanoylamino]methyl]phenyl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NCC#CC2=CC=CC=C2

DOS

IR

Vibrations