Geometry & MOs

Info

ID:	382693
PubChem CID:	134974007
Reduced:	OC9H13 (2)
Stoich.:	AB9C13 (2)
Weight, g/mol:	678.318617
ΔH_f, kcal/mol:	-98.52
Dipole, Da:	4.71
IP(EA), eV:	-9.1(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,6R)-6-(benzoylcarbamothioylamino)-3,4,5-tris(2,2-dimethylpropanoyloxy)oxan-2-yl]methyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

C1CCCC2(CCC1)[C@H]3CCC(=O)[C@H](O3)C4=C2CCC4

DOS

IR

Vibrations