Geometry & MOs

Info

ID:	181928
PubChem CID:	76814971
Reduced:	FSO2N5C23H26 (1)
Stoich.:	ABC2D5E23F26 (1)
Weight, g/mol:	470.232934
ΔH_f, kcal/mol:	-43.17
Dipole, Da:	6.9
IP(EA), eV:	-8.59(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(2-ethoxyethyl)-6-(4-fluorophenoxy)benzimidazol-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one

Drug info:

PubChemData

Smile

C=CC(=O)NCC1C2CC3C1NC4=NC(=NC=C4F)NC5=CC=CC(=C5)C(CSC3C2)O

DOS

IR

Vibrations