Geometry & MOs

Info

ID:	132270
PubChem CID:	51333254
Reduced:	OSN3C15H17 (1)
Stoich.:	ABC3D15E17 (1)
Weight, g/mol:	397.146013
ΔH_f, kcal/mol:	39.55
Dipole, Da:	6.04
IP(EA), eV:	-8.69(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1,3-benzothiazol-2-yl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)/C=C/C(=O)N2C=CC=CC2=NC(C)C

DOS

IR

Vibrations