Geometry & MOs

Info

ID:	245627
PubChem CID:	99455646
Reduced:	SF2N3O4C18H27 (1)
Stoich.:	AB2C3D4E18F27 (1)
Weight, g/mol:	459.10189
ΔH_f, kcal/mol:	-254.71
Dipole, Da:	5.4
IP(EA), eV:	-9.2(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]amino]-2-oxoethyl]-2-iodobenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations