Geometry & MOs

Info

ID:

421828

PubChem CID:

135116690

Reduced:

NO3C9H9 (2)

Stoich.:

AB3C9D9 (2)

Weight, g/mol:

657.363868

ΔHf, kcal/mol:

-186.36

Dipole, Da:

7.53

IP(EA), eV:

 -8.48(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,7S,10R)-4-benzyl-17-(1-ethylpyrazole-4-carbonyl)-10-methyl-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

CC1=C(NC2=C1C=C(C=C2)OC)C(=O)N3C[C@]4(C[C@]4(C3)C(=O)O)C(=O)O

DOS

IR

Vibrations