Geometry & MOs

Info

ID:

418401

PubChem CID:

135104528

Reduced:

SO6N7C32H51 (1)

Stoich.:

AB6C7D32E51 (1)

Weight, g/mol:

664.394833

ΔHf, kcal/mol:

-193.85

Dipole, Da:

7.15

IP(EA), eV:

 -8.6(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,7S,10R)-4-benzyl-17-[2-[2-methoxyethyl(methyl)amino]acetyl]-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

C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC2=CN(CCC3=CC[C@@H](C3(C)C)CCN1C(=O)C4CCOCC4)N=N2)CCSC)[C@@H](C)O

DOS

IR

Vibrations