Geometry & MOs

Info

ID:	72075
PubChem CID:	48415786
Reduced:	ClO2N3C19H20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	380.130697
ΔH_f, kcal/mol:	-27.0
Dipole, Da:	6.46
IP(EA), eV:	-9.08(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=C(C=CC(=C3)Cl)OC

DOS

IR

Vibrations