Geometry & MOs

Info

ID:

82960

PubChem CID:

49856889

Reduced:

BP5N10O17C22H32 (1)

Stoich.:

AB5C10D17E22F32 (1)

Weight, g/mol:

580.26857

ΔHf, kcal/mol:

-791.43

Dipole, Da:

3.94

IP(EA), eV:

 -7.12(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-(2-morpholin-4-yl-4-oxo-1H-quinolin-8-yl)dibenzofuran-1-yl]propanamide

Drug info:

PubChemData

Smile

[B-]P(=O)(OP(=O)(CP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)OP(=O)(CP(=O)(O)OC[C@@H]4[C@H](C[C@@H](O4)N5C=NC6=C(N=CN=C65)N)O)O

DOS

IR

Vibrations