Geometry & MOs

Info

ID:	49820
PubChem CID:	11533910
Reduced:	SO3N6C28H36 (1)
Stoich.:	AB3C6D28E36 (1)
Weight, g/mol:	537.01611
ΔH_f, kcal/mol:	-51.37
Dipole, Da:	6.46
IP(EA), eV:	-8.78(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-iodo-N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide

Drug info:

PubChemData

Smile

C1CCC(CC1)(C(=O)NCC#N)NC(=O)C2=CC=C(C=C2)C3=CSC(=N3)N4CCN(CC4)C5CCOCC5

DOS

IR

Vibrations