Geometry & MOs

Info

ID:

169161

PubChem CID:

75068831

Reduced:

NO16C25H40 (2)

Stoich.:

AB16C25D40 (2)

Weight, g/mol:

1190.422468

ΔHf, kcal/mol:

-1420.18

Dipole, Da:

5.02

IP(EA), eV:

 -9.79(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7,18-bis[[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy]-6,8,17,19-tetrahydroxy-10,15,29,30-tetraoxa-3,22-diazatetracyclo[22.2.2.15,9.116,20]triaconta-1(27),24(28),25-triene-4,21-dione

Drug info:

PubChemData

Smile

CCCOC1C(C(C(C(O1)C(=O)NCC2=CC=C(C=C2)CNC(=O)C3C(C(C(C(O3)OCCC)O)OC4C(C(C(C(O4)CO)OC5C(C(C(C(O5)CO)O)O)O)O)O)O)O)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)O)O)O)O)O

DOS

IR

Vibrations