Geometry & MOs

Info

ID:	394392
PubChem CID:	135022903
Reduced:	SN2O7C27H36 (1)
Stoich.:	AB2C7D27E36 (1)
Weight, g/mol:	532.224323
ΔH_f, kcal/mol:	-294.68
Dipole, Da:	2.76
IP(EA), eV:	-9.54(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (4R,6S)-5,5-dimethyl-2,2-dioxo-4-phenyl-6-[3-(phenylmethoxycarbonylamino)propyl]oxathiazinane-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1[C@@H](C[C@@H](OS1(=O)=O)C(C)(C)CCNC(=O)OCC2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations