Geometry & MOs

Info

ID:	68750
PubChem CID:	46509028
Reduced:	NSO5C21H25 (1)
Stoich.:	ABC5D21E25 (1)
Weight, g/mol:	411.107519
ΔH_f, kcal/mol:	-176.48
Dipole, Da:	5.12
IP(EA), eV:	-9.15(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-tert-butylphenyl)-5-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)COC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3CCCO3

DOS

IR

Vibrations