Geometry & MOs

Info

ID:	71810
PubChem CID:	48415474
Reduced:	ON5C19H25 (1)
Stoich.:	AB5C19D25 (1)
Weight, g/mol:	394.146347
ΔH_f, kcal/mol:	10.55
Dipole, Da:	5.47
IP(EA), eV:	-8.96(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)CC(=O)N(C)CCCC2=NC3=CC=CC=C3N2

DOS

IR

Vibrations