Geometry & MOs

Info

ID:	397454
PubChem CID:	135030239
Reduced:	ClO6H25C26 (1)
Stoich.:	AB6C25D26 (1)
Weight, g/mol:	454.118316
ΔH_f, kcal/mol:	-184.77
Dipole, Da:	3.9
IP(EA), eV:	-8.95(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[3-chloro-2-methoxy-6-(2-oxopropyl)-5-phenylmethoxyphenyl]-3-hydroxyphenyl] acetate

Drug info:

PubChemData

Smile

C[C@@]1(CC2=C(C3=C(C=CC=C3OC)OC(=O)C1)C(=C(C=C2OCC4=CC=CC=C4)Cl)OC)O

DOS

IR

Vibrations