Geometry & MOs

Info

ID:

423410

PubChem CID:

135119448

Reduced:

N2O2C19H32 (1)

Stoich.:

A2B2C19D32 (1)

Weight, g/mol:

546.211449

ΔHf, kcal/mol:

-94.31

Dipole, Da:

3.6

IP(EA), eV:

 -8.66(0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,7S)-5-(1,6-dimethyl-2-oxopyridine-3-carbonyl)-13-methoxy-2,15-dioxa-5,8,18-triazatetracyclo[18.2.2.110,14.03,7]pentacosa-1(23),10(25),11,13,20(24),21-hexaene-9,17-dione

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@@]12CCCN(C2)C3CCN(CC3)C(=O)C4CC4

DOS

IR

Vibrations