Geometry & MOs

Info

ID:

422009

PubChem CID:

135117004

Reduced:

O2N5C19H29 (1)

Stoich.:

A2B5C19D29 (1)

Weight, g/mol:

698.379183

ΔHf, kcal/mol:

-52.31

Dipole, Da:

1.63

IP(EA), eV:

-8.74(0.15)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(4R,7S,10R)-17-(5-acetyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)-4-benzyl-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

CCC1=CC(=NC(=N1)N2CCOCC2)NC3CCCN(C3)C(=O)C4CC4

DOS

IR

Vibrations