Geometry & MOs

Info

ID:	395964
PubChem CID:	135027034
Reduced:	SO6C37H40 (1)
Stoich.:	AB6C37D40 (1)
Weight, g/mol:	586.23891
ΔH_f, kcal/mol:	-134.58
Dipole, Da:	4.39
IP(EA), eV:	-8.34(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[3-(benzenesulfonyl)propyl]-4-methoxyphenyl]-2,6-dimethoxy-5-propan-2-yloxy-9,10-dihydrophenanthrene

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=CC(=C1C2=CC(=C(C=C2C=C)OC)C3=C(C=C(C=C3)OC)CCCS(=O)(=O)C4=CC=CC=C4)C=C)OC

DOS

IR

Vibrations