Geometry & MOs

Info

ID:	151775
PubChem CID:	56310576
Reduced:	SN2O4C22H32 (1)
Stoich.:	AB2C4D22E32 (1)
Weight, g/mol:	372.151703
ΔH_f, kcal/mol:	-146.54
Dipole, Da:	0.91
IP(EA), eV:	-7.81(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-methylbenzimidazole

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(=O)C2)CS(=O)(=O)NCC3CCN(C3)C4=CC=CC=C4OC)C

DOS

IR

Vibrations