Geometry & MOs

Info

ID:

414970

PubChem CID:

135087950

Reduced:

O5N6C26H30 (1)

Stoich.:

A5B6C26D30 (1)

Weight, g/mol:

674.342798

ΔHf, kcal/mol:

-73.89

Dipole, Da:

10.47

IP(EA), eV:

 -8.77(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7S,10R)-4-[(2S)-butan-2-yl]-7-[(4-methoxyphenyl)methyl]-10-methyl-17-(5-methyl-1,2-oxazole-3-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

CN1CC2CCCN(C2)C(=O)C3=CC(=C(C=C3)OC)OCC4=CN(CCOC5=C(C1=O)N=CC=C5)N=N4

DOS

IR

Vibrations