Geometry & MOs

Info

ID:	189027
PubChem CID:	77806303
Reduced:	FN2O2C22H27 (1)
Stoich.:	AB2C2D22E27 (1)
Weight, g/mol:	662.381869
ΔH_f, kcal/mol:	-37.92
Dipole, Da:	13.11
IP(EA), eV:	-8.85(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-butoxycarbonyl-2-[4-[4-[1-[4-(6-prop-2-enoyloxyhexyl)cyclohexyl]butyl]phenyl]phenyl]-1,3-dioxolane-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCOC(C)CCCC=C=C1C=NC(=C2C=CC(=O)C(=C2)F)N=C1

DOS

IR

Vibrations