Geometry & MOs

Info

ID:	127879
PubChem CID:	51020938
Reduced:	SN4O4C24H32 (1)
Stoich.:	AB4C4D24E32 (1)
Weight, g/mol:	343.135448
ΔH_f, kcal/mol:	-167.63
Dipole, Da:	6.58
IP(EA), eV:	-8.59(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=NC(=NC3=C2[C@H]4CCC[C@H](C4)N3)NC(=O)C(C)(C)C)C

DOS

IR

Vibrations