Geometry & MOs

Info

ID:

419804

PubChem CID:

135109118

Reduced:

O2N6C21H28 (1)

Stoich.:

A2B6C21D28 (1)

Weight, g/mol:

701.353697

ΔHf, kcal/mol:

-47.38

Dipole, Da:

4.71

IP(EA), eV:

 -8.37(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,7S,10R)-4-benzyl-10-methyl-17-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-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=C(C(=O)N=C(N1)C)CC(=O)N2CCCC3(C2)CCC4=CN=C(N=C34)N(C)C

DOS

IR

Vibrations