Geometry & MOs

Info

ID:	218747
PubChem CID:	85089901
Reduced:	BrN4O5C22H23 (1)
Stoich.:	AB4C5D22E23 (1)
Weight, g/mol:	503.170904
ΔH_f, kcal/mol:	-76.37
Dipole, Da:	9.66
IP(EA), eV:	-9.17(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyanoethyl [1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] (2,2-dimethyl-1,3-dioxolan-4-yl)methyl phosphite

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=C(C(=O)N2CCCCC2)NC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])Br

DOS

IR

Vibrations