Geometry & MOs

Info

ID:

47464

PubChem CID:

10532960

Reduced:

INOH15C16 (2)

Stoich.:

ABCD15E16 (2)

Weight, g/mol:

728.135233

ΔHf, kcal/mol:

83.24

Dipole, Da:

2.41

IP(EA), eV:

 -8.39(-1.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

dimethyl 2,2,18-trioxo-7,13,23,29-tetraoxa-2lambda6-thiaheptacyclo[28.2.2.23,6.214,17.219,22.18,12.124,28]dotetraconta-1(32),3(42),4,6(41),8,10,12(40),14(39),15,17(38),19,21,24(35),25,27,30,33,36-octadecaene-10,26-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)[C@H]1COC(=N1)C2=C(C3=CC=CC=C3C=C2I)C4=C(C(=CC5=CC=CC=C54)I)C6=N[C@H](CO6)C(C)C

DOS

IR

Vibrations