Geometry & MOs

Info

ID:	223661
PubChem CID:	85335383
Reduced:	NSF3O5H18C23 (1)
Stoich.:	ABC3D5E18F23 (1)
Weight, g/mol:	481.247775
ΔH_f, kcal/mol:	-314.46
Dipole, Da:	2.56
IP(EA), eV:	-9.18(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[[4-(6-oxo-3-phenylpiperazin-2-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C2C(=C1)C(CO2)(C)C)C3=C(C=CC(=C3)C=C4C(=O)NC(=O)S4)OC(F)(F)F

DOS

IR

Vibrations