Geometry & MOs

Info

ID:	140410
PubChem CID:	52692651
Reduced:	FON3C20H28 (1)
Stoich.:	ABC3D20E28 (1)
Weight, g/mol:	480.219512
ΔH_f, kcal/mol:	-69.18
Dipole, Da:	4.93
IP(EA), eV:	-8.95(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone

Drug info:

PubChemData

Smile

CC[C@@H](C)C(=O)N(C)CCCCCC1=CC(=NN1)C2=CC=C(C=C2)F

DOS

IR

Vibrations