Geometry & MOs

Info

ID:	150539
PubChem CID:	53790232
Reduced:	OC29H54 (1)
Stoich.:	AB29C54 (1)
Weight, g/mol:	319.079763
ΔH_f, kcal/mol:	-122.73
Dipole, Da:	2.54
IP(EA), eV:	-9.85(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-3-methyl-2-propan-2-ylphenyl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanethione

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC(=C)C(=O)C(=C)CCCCCCCCCCCC

DOS

IR

Vibrations