Geometry & MOs

Info

ID:	140522
PubChem CID:	52714925
Reduced:	ClN3O4C22H26 (1)
Stoich.:	AB3C4D22E26 (1)
Weight, g/mol:	341.153955
ΔH_f, kcal/mol:	-134.5
Dipole, Da:	3.15
IP(EA), eV:	-9.02(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-4-(3-fluorophenoxy)butanamide

Drug info:

PubChemData

Smile

CC[C@@H](C)C(=O)NCC(=O)NNC(=O)C1=CC=C(C=C1)COC2=CC(=C(C=C2)Cl)C

DOS

IR

Vibrations