Geometry & MOs

Info

ID:	62033
PubChem CID:	26717132
Reduced:	SN2O4C25H28 (1)
Stoich.:	AB2C4D25E28 (1)
Weight, g/mol:	452.176979
ΔH_f, kcal/mol:	-115.66
Dipole, Da:	3.62
IP(EA), eV:	-9.08(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(1S)-1-naphthalen-2-ylethyl]benzamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@H](O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)N[C@@H](C)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations