Geometry & MOs

Info

ID:	242636
PubChem CID:	97857662
Reduced:	ClO2N4C21H29 (1)
Stoich.:	AB2C4D21E29 (1)
Weight, g/mol:	296.153621
ΔH_f, kcal/mol:	-100.69
Dipole, Da:	4.61
IP(EA), eV:	-9.05(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-4-hydroxy-N-[(2S)-2-methyl-3-morpholin-4-ylpropyl]benzamide

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCC[C@@H]1C2=NC3=C(N2)C=C(C=C3)Cl

DOS

IR

Vibrations