Geometry & MOs

Info

ID:	194226
PubChem CID:	78501079
Reduced:	SN2O4C22H26 (1)
Stoich.:	AB2C4D22E26 (1)
Weight, g/mol:	301.131408
ΔH_f, kcal/mol:	-167.72
Dipole, Da:	4.45
IP(EA), eV:	-8.71(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)O)C

DOS

IR

Vibrations