Geometry & MOs

Info

ID:	390241
PubChem CID:	134997970
Reduced:	SiN2Cl6O41C117H134 (1)
Stoich.:	AB2C6D41E117F134 (1)
Weight, g/mol:	187.099714
ΔH_f, kcal/mol:	-1695.67
Dipole, Da:	4.58
IP(EA), eV:	-9.24(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2-[(4-methylphenyl)methyl]-1,3-oxazole

Drug info:

Smile

CC[Si](CC)(C(C)C)OC1C(C(OC(C1OC(=O)C2=CC=CC=C2)OC3C(OC(C(C3OC4C(C(C(C(O4)C)OC(=O)C)OC(=O)C)OCC5=CC=CC=C5)NC(=O)OCC(Cl)(Cl)Cl)OC6C(C(OC(C6OC(=O)C7=CC=CC=C7)OC8C(OC(C(C8OC9C(C(C(C(O9)C)OC(=O)C)OC(=O)C)OCC1=CC=CC=C1)NC(=O)OCC(Cl)(Cl)Cl)O)COCC1=CC=CC=C1)COC(=O)C1=CC=CC=C1)OC(=O)C)COCC1=CC=CC=C1)COC(=O)C1=CC=CC=C1)OC(=O)C

DOS

IR

Vibrations