Geometry & MOs

Info

ID:	139840
PubChem CID:	52606763
Reduced:	ClFO2N4C23H24 (1)
Stoich.:	ABC2D4E23F24 (1)
Weight, g/mol:	458.188482
ΔH_f, kcal/mol:	-41.75
Dipole, Da:	4.19
IP(EA), eV:	-9.05(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1H-benzimidazol-2-yl)-N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-[(2S)-2-methylmorpholin-4-yl]ethyl]butanamide

Drug info:

PubChemData

Smile

C[C@H]1CN(CCO1)[C@@H](CNC(=O)C2=NN(C=C2)C3=CC=CC=C3)C4=C(C=CC=C4Cl)F

DOS

IR

Vibrations