Geometry & MOs

Info

ID:	379304
PubChem CID:	134357604
Reduced:	NSO9C27H41 (1)
Stoich.:	ABC9D27E41 (1)
Weight, g/mol:	441.182124
ΔH_f, kcal/mol:	-418.59
Dipole, Da:	3.66
IP(EA), eV:	-9.74(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (4R)-2,2-dioxo-4-[(4-phenylmethoxycyclohexyl)oxymethyl]oxathiazolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1[C@@H](COS1(=O)=O)CO[C@H]2CCCCC[C@@H](CCCC2)OC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations