Geometry & MOs

Info

ID:	214754
PubChem CID:	85083589
Reduced:	SN3O8C29H51 (1)
Stoich.:	AB3C8D29E51 (1)
Weight, g/mol:	602.14877
ΔH_f, kcal/mol:	-370.29
Dipole, Da:	6.26
IP(EA), eV:	-8.52(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-pyrimidin-2-yloxy-2-(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)oxypropyl] 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate

Drug info:

PubChemData

Smile

CC(C)C(CC1=CC(=C(C=C1)OC)OCCCOC)CC(C(CC(C)C(=O)NCCS(=O)(=O)N2CCOCC2)O)N

DOS

IR

Vibrations