Geometry & MOs

Info

ID:

414540

PubChem CID:

135087499

Reduced:

ClN2O3C20H29 (1)

Stoich.:

AB2C3D20E29 (1)

Weight, g/mol:

670.347883

ΔHf, kcal/mol:

-127.97

Dipole, Da:

2.97

IP(EA), eV:

 -8.59(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,7S,10R)-4-benzyl-10-methyl-17-(1-methyl-6-oxopyridine-3-carbonyl)-7-(2-methylpropyl)-3,6,9,12,17-pentazabicyclo[17.2.2]tricosa-1(21),19,22-triene-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1OC)Cl)CN(C)[C@@H]2C[C@@H]3CC(=O)NC[C@@H]3C2

DOS

IR

Vibrations