Geometry & MOs

Info

ID:	394393
PubChem CID:	135022904
Reduced:	SN2O7C27H36 (1)
Stoich.:	AB2C7D27E36 (1)
Weight, g/mol:	532.224323
ΔH_f, kcal/mol:	-295.78
Dipole, Da:	3.08
IP(EA), eV:	-9.55(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (4S,6S)-6-[3-methyl-3-(phenylmethoxycarbonylamino)butyl]-2,2-dioxo-4-phenyloxathiazinane-3-carboxylate

Drug info:

PubChemData

Smile

CC1([C@@H](OS(=O)(=O)N([C@@H]1C2=CC=CC=C2)C(=O)OC(C)(C)C)CCCNC(=O)OCC3=CC=CC=C3)C

DOS

IR

Vibrations