Geometry & MOs

Info

ID:	58181
PubChem CID:	24430846
Reduced:	SCl2N3O3H19C23 (1)
Stoich.:	AB2C3D3E19F23 (1)
Weight, g/mol:	384.05857
ΔH_f, kcal/mol:	-35.17
Dipole, Da:	4.58
IP(EA), eV:	-9.17(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-1-(2-bromophenyl)ethylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N\2C(=O)/C(=C/C3=C(C=C(C=C3)Cl)Cl)/S/C2=C(/C#N)\C(=O)NCCOC

DOS

IR

Vibrations