Geometry & MOs

Info

ID:	245648
PubChem CID:	99455793
Reduced:	BrFN2O2C16H22 (1)
Stoich.:	ABC2D2E16F22 (1)
Weight, g/mol:	418.203862
ΔH_f, kcal/mol:	-130.46
Dipole, Da:	2.38
IP(EA), eV:	-9.09(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@H](O1)C)[C@@H](C)CNC(=O)C2=C(C=C(C=C2)F)Br

DOS

IR

Vibrations