Geometry & MOs

Info

ID:	234004
PubChem CID:	92297518
Reduced:	NO2C16H27 (1)
Stoich.:	AB2C16D27 (1)
Weight, g/mol:	377.177313
ΔH_f, kcal/mol:	-92.1
Dipole, Da:	1.38
IP(EA), eV:	-8.84(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1R,2R)-1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-2-methylbutyl]carbamate

Drug info:

PubChemData

Smile

CC[C@@H](C)NC[C@H](CO[C@@H](CC)C1=CC=CC=C1)O

DOS

IR

Vibrations