Geometry & MOs

Info

ID:	244117
PubChem CID:	99313697
Reduced:	FSN4O4C24H27 (1)
Stoich.:	ABC4D4E24F27 (1)
Weight, g/mol:	472.158055
ΔH_f, kcal/mol:	-132.51
Dipole, Da:	2.16
IP(EA), eV:	-8.86(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]benzamide

Drug info:

PubChemData

Smile

CN1C=NC(=C1NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations