Geometry & MOs

Info

ID:

417725

PubChem CID:

135102608

Reduced:

NSO6C17H25 (1)

Stoich.:

ABC6D17E25 (1)

Weight, g/mol:

617.35772

ΔHf, kcal/mol:

-267.82

Dipole, Da:

7.68

IP(EA), eV:

 -9.6(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,7S,10R)-4-benzyl-10-methyl-17-(1-methylcyclopropanecarbonyl)-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=CC(=C(C=C1C(C)C)S(=O)(=O)N2CC[C@H]([C@H](C2)C(=O)O)O)OC

DOS

IR

Vibrations