Geometry & MOs

Info

ID:	137896
PubChem CID:	52280717
Reduced:	F3O3N5C18H26 (1)
Stoich.:	A3B3C5D18E26 (1)
Weight, g/mol:	298.088832
ΔH_f, kcal/mol:	-268.61
Dipole, Da:	8.83
IP(EA), eV:	-8.76(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-benzimidazol-2-yl)-2-(pyridin-2-ylmethylsulfanyl)acetamide

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)CN1CCN(CC1)C(=O)NC2=CN=C(C=C2)OCC(F)(F)F

DOS

IR

Vibrations