Geometry & MOs

Info

ID:	129024
PubChem CID:	51066848
Reduced:	SN4O5C28H36 (1)
Stoich.:	AB4C5D28E36 (1)
Weight, g/mol:	510.138945
ΔH_f, kcal/mol:	-200.64
Dipole, Da:	8.53
IP(EA), eV:	-8.94(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)NC(=O)C

DOS

IR

Vibrations