Geometry & MOs

Info

ID:	318625
PubChem CID:	126652357
Reduced:	SN2O5C13H16 (1)
Stoich.:	AB2C5D13E16 (1)
Weight, g/mol:	368.150285
ΔH_f, kcal/mol:	-172.74
Dipole, Da:	3.28
IP(EA), eV:	-9.0(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(methylcarbamoyl)morpholine-4-carboxylate

Drug info:

PubChemData

Smile

CC(=O)O[C@H]1CO[C@H]2[C@@H]1OCC2OC3=NC(=NC=C3)SC

DOS

IR

Vibrations