Geometry & MOs

Info

ID:	43642
PubChem CID:	10321583
Reduced:	NSO6C23H33 (1)
Stoich.:	ABC6D23E33 (1)
Weight, g/mol:	451.272259
ΔH_f, kcal/mol:	-242.04
Dipole, Da:	5.89
IP(EA), eV:	-9.22(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (4S,5S)-4-benzyl-5-[(E)-2-(hydroxymethyl)-4-phenylbut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H]2CCC=C([C@]2(CC[C@]1(C)CC3=C(C(=CC(=O)C3=O)NCCS(=O)(=O)O)O)C)C

DOS

IR

Vibrations