Geometry & MOs

Info

ID:

47374

PubChem CID:

10532008

Reduced:

FeS8C24H26 (1)

Stoich.:

AB8C24D26 (1)

Weight, g/mol:

627.19579

ΔHf, kcal/mol:

230.14

Dipole, Da:

12.36

IP(EA), eV:

 -6.29(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(1S,2S,13R,21R)-22-(cyclopropylmethyl)-2,16-dihydroxy-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5(10),6,8,15,17,19(25)-heptaen-7-yl]ethyl-trimethylazanium;iodide

Drug info:

PubChemData

Smile

CC(=C1SC(=C(S1)SC)SC)[C]2[CH][CH][CH][CH]2.CC(=C1SC(=C(S1)SC)SC)[C]2[CH][CH][CH][CH]2.[Fe+2]

DOS

IR

Vibrations