Geometry & MOs

Info

ID:	71948
PubChem CID:	48415648
Reduced:	SO2N4C22H26 (1)
Stoich.:	AB2C4D22E26 (1)
Weight, g/mol:	394.146347
ΔH_f, kcal/mol:	-24.15
Dipole, Da:	6.87
IP(EA), eV:	-9.18(-0.41)
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-1,4-benzothiazin-4-yl)acetamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3CCN(CC3)C(=O)C4=CC=CS4

DOS

IR

Vibrations