Geometry & MOs

Info

ID:	396012
PubChem CID:	135027197
Reduced:	O4H28C31 (1)
Stoich.:	A4B28C31 (1)
Weight, g/mol:	666.192354
ΔH_f, kcal/mol:	21.09
Dipole, Da:	3.8
IP(EA), eV:	-8.2(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[6-[2-[3-(benzenesulfonyl)but-3-enyl]-4-methoxyphenyl]-3,7-dimethoxy-9,10-dihydrophenanthren-4-yl]oxy]-3-hydroxypyran-2-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C3=C(C=C4CCC5=C(C4=C3)C(=C(C=C5)OC)OC6=CC=CC(=C6)CC2)OC

DOS

IR

Vibrations