Geometry & MOs

Info

ID:	214505
PubChem CID:	85083133
Reduced:	ClN2O2H27C35 (1)
Stoich.:	AB2C2D27E35 (1)
Weight, g/mol:	542.23719
ΔH_f, kcal/mol:	78.73
Dipole, Da:	3.99
IP(EA), eV:	-8.34(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromoethyl (5-heptadecyl-1,4-dioxan-2-yl)methyl hydrogen phosphate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C#CC2(C3=C(C=CC(=C3)Cl)N(C(=O)N2)CC4=C5C=CC=CC5=CC6=CC=CC=C64)C7CC7

DOS

IR

Vibrations