Geometry & MOs

Info

ID:

418940

PubChem CID:

135107165

Reduced:

SO2N3C19H25 (1)

Stoich.:

AB2C3D19E25 (1)

Weight, g/mol:

671.379518

ΔHf, kcal/mol:

-28.87

Dipole, Da:

5.55

IP(EA), eV:

 -8.85(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,7S,10R)-4-benzyl-10-methyl-7-(2-methylpropyl)-17-(5-propyl-1H-pyrazole-3-carbonyl)-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=CC=C(S1)CN2C[C@H]3CN([C@@H](C2)COC3)C(=O)C4=CC=CN4C

DOS

IR

Vibrations