Geometry & MOs

Info

ID:	31806
PubChem CID:	3719475
Reduced:	FO2N5C22H22 (1)
Stoich.:	AB2C5D22E22 (1)
Weight, g/mol:	355.192963
ΔH_f, kcal/mol:	-42.96
Dipole, Da:	4.52
IP(EA), eV:	-8.9(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-methyl-1-[5-(3-methylbut-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]butyl]carbamate

Drug info:

PubChemData

Smile

CN1C2=C(N=C1N(C)CC3=CC=CC=C3)N(C(=O)N(C2=O)CC4=CC=CC=C4F)C

DOS

IR

Vibrations