Geometry & MOs

Info

ID:	137439
PubChem CID:	52208680
Reduced:	BrSN3O4C17H18 (1)
Stoich.:	ABC3D4E17F18 (1)
Weight, g/mol:	307.132077
ΔH_f, kcal/mol:	-99.49
Dipole, Da:	3.49
IP(EA), eV:	-9.43(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2R)-oxolan-2-yl]-3H-benzimidazol-5-yl]benzamide

Drug info:

PubChemData

Smile

CN([C@@H]1CCS(=O)(=O)C1)C(=O)CN2C(=O)C=CC(=N2)C3=CC=C(C=C3)Br

DOS

IR

Vibrations