Geometry & MOs

Info

ID:	140853
PubChem CID:	52770365
Reduced:	NBr2O2C11H11 (1)
Stoich.:	AB2C2D11E11 (1)
Weight, g/mol:	410.120132
ΔH_f, kcal/mol:	-64.01
Dipole, Da:	2.13
IP(EA), eV:	-9.42(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-cyanophenyl)sulfanyl-N-[(4-imidazol-1-ylphenyl)methyl]benzamide

Drug info:

PubChemData

Smile

C1COC[C@@H]1C(=O)NC2=C(C=CC(=C2)Br)Br

DOS

IR

Vibrations