Geometry & MOs

Info

ID:	245631
PubChem CID:	99455670
Reduced:	ClSN3O4C18H28 (1)
Stoich.:	ABC3D4E18F28 (1)
Weight, g/mol:	360.241293
ΔH_f, kcal/mol:	-165.01
Dipole, Da:	3.8
IP(EA), eV:	-9.07(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-4-(3,4-dimethylphenyl)-4-oxobutanamide

Drug info:

PubChemData

Smile

C[C@H]1CN(C[C@@H](O1)C)[C@@H](C)CNC(=O)CCNS(=O)(=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations