Geometry & MOs

Info

ID:	323123
PubChem CID:	126672720
Reduced:	NC28H51 (1)
Stoich.:	AB28C51 (1)
Weight, g/mol:	562.02772
ΔH_f, kcal/mol:	-60.44
Dipole, Da:	1.79
IP(EA), eV:	-8.11(1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-hydroxy-3-iodo-5-methoxyphenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-6,20-diol

Drug info:

PubChemData

Smile

CCC(CCCC/1CCCC(CCCC/C=C1)/C(=C(\C)/N)/C)C=CCCC(C)C

DOS

IR

Vibrations