Geometry & MOs

Info

ID:	321546
PubChem CID:	126666563
Reduced:	ClON4H17C18 (1)
Stoich.:	ABC4D17E18 (1)
Weight, g/mol:	474.134839
ΔH_f, kcal/mol:	34.99
Dipole, Da:	3.68
IP(EA), eV:	-9.32(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl (Z)-2-hydroxy-3-[4-[4-(2-hydroxy-3-prop-2-enoyloxypropoxy)phenyl]sulfanylphenoxy]prop-2-enoate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CCO1)N2C(=NC3=CN=C4C=CC(=CC4=C32)Cl)CC#N

DOS

IR

Vibrations