Geometry & MOs

Info

ID:

421988

PubChem CID:

135116970

Reduced:

N3O4C21H25 (1)

Stoich.:

A3B4C21D25 (1)

Weight, g/mol:

688.358448

ΔHf, kcal/mol:

-58.81

Dipole, Da:

3.81

IP(EA), eV:

 -9.02(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7S,10R)-4-[(2S)-butan-2-yl]-17-(5-ethyl-1,3-oxazole-4-carbonyl)-7-[(4-methoxyphenyl)methyl]-10-methyl-3,6,9,12,17-pentazabicyclo[17.2.2]tricosa-1(21),19,22-triene-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

C1CC1C2CN(CCO2)C(=O)C3=C(ON=C3N4CCOCC4)C5=CC=CC=C5

DOS

IR

Vibrations