Geometry & MOs

Info

ID:

421686

PubChem CID:

135116427

Reduced:

NOC8H9 (3)

Stoich.:

ABC8D9 (3)

Weight, g/mol:

671.379518

ΔHf, kcal/mol:

-95.01

Dipole, Da:

8.17

IP(EA), eV:

 -9.13(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=CC(=C(C1=O)C(=O)N2C[C@H]([C@H](C2)O)CC3=CC=NC4=CC=CC=C34)C)C

DOS

IR

Vibrations