Geometry & MOs

Info

ID:	176963
PubChem CID:	76118313
Reduced:	SF3O5C24H35 (1)
Stoich.:	AB3C5D24E35 (1)
Weight, g/mol:	368.083078
ΔH_f, kcal/mol:	-421.07
Dipole, Da:	1.06
IP(EA), eV:	-8.7(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-methoxy-2-[2-[(3-phenyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

COC(=O)CCCCCCC1C(CC(C1CCC(CSC2=CC=CC(=C2)C(F)(F)F)O)O)O

DOS

IR

Vibrations