Geometry & MOs

Info

ID:

318602

PubChem CID:

126652210

Reduced:

NP3O23C29H53 (1)

Stoich.:

AB3C23D29E53 (1)

Weight, g/mol:

418.236876

ΔHf, kcal/mol:

-1023.94

Dipole, Da:

4.99

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.797807

Charge, e:

 0

Chem-info

IUPAC name:

2-methoxy-8-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-yl-6H-indolo[2,3-b]quinolin-11-one

Drug info:

PubChemData

Smile

CC1[C@H]([C@@H](C(O[C@@H]1O[P+](=O)O[C@H]2[C@@H](C([C@H](OC2CO)O[P+](=O)O[C@H]3[C@@H](C([C@H](OC3CO)O[P+](=O)O[C@H]4[C@@H](C([C@@H](OC4CO)OCN)C)O)C)O)C)O)CO)O)O

DOS

IR

Vibrations