Geometry & MOs

Info

ID:	233113
PubChem CID:	87692424
Reduced:	NSO3C10H19 (1)
Stoich.:	ABC3D10E19 (1)
Weight, g/mol:	412.189926
ΔH_f, kcal/mol:	-130.6
Dipole, Da:	4.11
IP(EA), eV:	-8.36(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2-methylpiperazin-1-yl)phenoxy]-1-phenylbenzimidazole-5-carbaldehyde

Drug info:

PubChemData

Smile

CC(C)(C)S(=O)/N=C/CCCC(=O)OC

DOS

IR

Vibrations