Geometry & MOs

Info

ID:	237290
PubChem CID:	92718096
Reduced:	ClSF3N3O3H13C18 (1)
Stoich.:	ABC3D3E3F13G18 (1)
Weight, g/mol:	460.13359
ΔH_f, kcal/mol:	-193.99
Dipole, Da:	4.49
IP(EA), eV:	-9.34(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(1-adamantylcarbamoyl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=C(C=C1)OC(F)(F)F)SC2=NN=C(O2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations