Geometry & MOs

Info

ID:	235139
PubChem CID:	92304111
Reduced:	NO6C22H27 (1)
Stoich.:	AB6C22D27 (1)
Weight, g/mol:	301.146013
ΔH_f, kcal/mol:	-255.55
Dipole, Da:	6.93
IP(EA), eV:	-9.43(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1R,2S)-2-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butyl]carbamate

Drug info:

PubChemData

Smile

CC[C@H](C)[C@H](C(=O)O)NC(=O)[C@@H](C)OC1=CC(=CC2=C1C3=C(CCC3)C(=O)O2)C

DOS

IR

Vibrations