Geometry & MOs

Info

ID:	307871
PubChem CID:	125310254
Reduced:	O2N4C11H12 (1)
Stoich.:	A2B4C11D12 (1)
Weight, g/mol:	484.13359
ΔH_f, kcal/mol:	32.53
Dipole, Da:	2.03
IP(EA), eV:	-9.02(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1R)-1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-(2H-indol-3-yl)ethyl]carbamate

Drug info:

PubChemData

Smile

CC1=NN=C(C1)C(=O)N/N=C(/C)\C2=CC=CO2

DOS

IR

Vibrations