Geometry & MOs

Info

ID:	380717
PubChem CID:	134971245
Reduced:	N2O5C45H62 (1)
Stoich.:	A2B5C45D62 (1)
Weight, g/mol:	684.43899
ΔH_f, kcal/mol:	-170.0
Dipole, Da:	6.65
IP(EA), eV:	-9.19(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-10-(2-hexyl-5,5-dimethyl-1,3-dioxan-2-yl)-4-hydroxy-3-propan-2-yloxy-1-trityloxydec-6-en-2-one

Drug info:

PubChemData

Smile

CCCCCCC1(OCC(CO1)(C)C)CCC/C=C/CC(C(C(COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C#N)N)OC(C)C)O

DOS

IR

Vibrations