Geometry & MOs

Info

ID:	394390
PubChem CID:	135022901
Reduced:	SN2O7C25H32 (1)
Stoich.:	AB2C7D25E32 (1)
Weight, g/mol:	518.208673
ΔH_f, kcal/mol:	-288.6
Dipole, Da:	2.96
IP(EA), eV:	-9.67(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (4S,6R)-2,2-dioxo-4-phenyl-6-[(2S)-4-(phenylmethoxycarbonylamino)butan-2-yl]oxathiazinane-3-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations