Geometry & MOs

Info

ID:	244517
PubChem CID:	99357853
Reduced:	FSO3N5C25H28 (1)
Stoich.:	ABC3D5E25F28 (1)
Weight, g/mol:	394.236876
ΔH_f, kcal/mol:	-87.88
Dipole, Da:	3.73
IP(EA), eV:	-9.26(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-cyclopropylbenzimidazol-1-yl)-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCC(CC3)C4=NC(=NN4)C5=CC=CC=C5)F

DOS

IR

Vibrations