Geometry & MOs

Info

ID:	332485
PubChem CID:	127250771
Reduced:	SF2O3N4C21H22 (1)
Stoich.:	AB2C3D4E21F22 (1)
Weight, g/mol:	449.186318
ΔH_f, kcal/mol:	-132.79
Dipole, Da:	2.76
IP(EA), eV:	-9.31(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzimidazol-1-yl)-1-[2-[5-[2-(3-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C(=O)N2CCOC(C2)C3=NNC(=C3)CCOC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations