Geometry & MOs

Info

ID:	222783
PubChem CID:	85332455
Reduced:	N2O2F7H21C26 (1)
Stoich.:	A2B2C7D21E26 (1)
Weight, g/mol:	525.204879
ΔH_f, kcal/mol:	-376.39
Dipole, Da:	7.54
IP(EA), eV:	-8.84(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-chloro-16-(1-chloro-2-pyridin-2-ylethenyl)-7-ethyl-4,8-dihydroxy-5,5,9-trimethyl-1-oxacyclohexadec-13-ene-2,6-dione

Drug info:

PubChemData

Smile

CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OCC2(CN(C(=O)N2)C3=CC=CC=C3F)C4=CC=CC=C4

DOS

IR

Vibrations