Geometry & MOs

Info

ID:	86304
PubChem CID:	49884006
Reduced:	ClFO2N3C29H30 (1)
Stoich.:	ABC2D3E29F30 (1)
Weight, g/mol:	376.91457
ΔH_f, kcal/mol:	-27.6
Dipole, Da:	5.94
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750025
Charge, e:	-1

Chem-info

IUPAC name:

3-bromo-4,4-dimethyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazole;bromide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OCCCCN2C3=CC=CC=C3N=C2C4CC(=O)N(C4)C5=CC=C(C=C5)F.[Cl-]

DOS

IR

Vibrations