Geometry & MOs

Info

ID:

414741

PubChem CID:

135087702

Reduced:

SO2N7C14H21 (1)

Stoich.:

AB2C7D14E21 (1)

Weight, g/mol:

685.395168

ΔHf, kcal/mol:

14.68

Dipole, Da:

5.52

IP(EA), eV:

 -9.5(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,7S,10R)-4-benzyl-10-methyl-7-(2-methylpropyl)-17-(3-methyl-1-propylpyrazole-4-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

CN1C=NN=C1C2CCN(CC2)CC(=O)NC3=NN=C(S3)COC

DOS

IR

Vibrations