Geometry & MOs

Info

ID:	84267
PubChem CID:	49865160
Reduced:	BrFSO3N4H18C22 (1)
Stoich.:	ABCD3E4F18G22 (1)
Weight, g/mol:	543.240103
ΔH_f, kcal/mol:	-55.81
Dipole, Da:	5.58
IP(EA), eV:	-8.12(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-chlorophenyl)methyl]-3-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]benzimidazol-2-one

Drug info:

PubChemData

Smile

C1COCCN1C2=CN3C(=N/C(=C\4/NC=C(S4)CC5=CC=C(C=C5)F)/C(=O)C3=O)C(=C2)Br

DOS

IR

Vibrations