Geometry & MOs

Info

ID:	182285
PubChem CID:	76870671
Reduced:	BrSN2O4C19H21 (1)
Stoich.:	ABC2D4E19F21 (1)
Weight, g/mol:	338.143056
ΔH_f, kcal/mol:	-111.67
Dipole, Da:	10.8
IP(EA), eV:	-8.52(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylbenzimidazol-1-yl)propyl 3-(4-fluorophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCC=C(C)C(=O)NC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC=C(C=C2)Br

DOS

IR

Vibrations