Geometry & MOs

Info

ID:	397297
PubChem CID:	135030010
Reduced:	NO2H15C19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	654.08813
ΔH_f, kcal/mol:	-25.1
Dipole, Da:	3.73
IP(EA), eV:	-8.48(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-[[4-chloro-2-[3-iodo-6-methoxy-2-(methoxymethoxy)phenyl]-3-methoxy-6-phenylmethoxyphenyl]methyl]-4-methyl-1,3-dioxane

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC2=C(C=C1)NC3=C2C=CC4=CC=CC=C43

DOS

IR

Vibrations