Geometry & MOs

Info

ID:

43215

PubChem CID:

10319693

Reduced:

ClO2N5H14C22 (1)

Stoich.:

AB2C5D14E22 (1)

Weight, g/mol:

416.194737

ΔHf, kcal/mol:

61.42

Dipole, Da:

0.59

IP(EA), eV:

 -8.93(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3R,4S,5R,6R)-2-[[(6aR,10aR)-7-methyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=C(C=C3)C4=NC(=CO4)N)C5=NC=C(C=C5)Cl

DOS

IR

Vibrations