Geometry & MOs

Info

ID:	122009
PubChem CID:	50789341
Reduced:	ClSO2N3C16H22 (1)
Stoich.:	ABC2D3E16F22 (1)
Weight, g/mol:	495.263425
ΔH_f, kcal/mol:	-69.07
Dipole, Da:	5.16
IP(EA), eV:	-9.38(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-[6-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1H-benzimidazol-2-yl]ethyl]phenyl]acetamide

Drug info:

PubChemData

Smile

CCCN1CCN(C1=O)C2CCN(CC2)C(=O)C3=CC=C(S3)Cl

DOS

IR

Vibrations