Geometry & MOs

Info

ID:	43168
PubChem CID:	10319000
Reduced:	NSO5C21H25 (1)
Stoich.:	ABC5D21E25 (1)
Weight, g/mol:	403.235873
ΔH_f, kcal/mol:	-175.66
Dipole, Da:	6.03
IP(EA), eV:	-8.39(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S,3R)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-2,5-dimethylhexanoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@H]([C@H](C(=O)O)O)SC2=C(C=CC(=C2)OC3CCCC3)N

DOS

IR

Vibrations