Geometry & MOs

Info

ID:

423305

PubChem CID:

135119264

Reduced:

N2O5C24H30 (1)

Stoich.:

A2B5C24D30 (1)

Weight, g/mol:

684.411152

ΔHf, kcal/mol:

-170.85

Dipole, Da:

8.37

IP(EA), eV:

 -8.83(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,7S,10R)-4-benzyl-10-methyl-7-(2-methylpropyl)-17-[[2-(propan-2-ylamino)pyrimidin-5-yl]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

C[C@]1(CCOC2([C@H]1O)CCNCC2)NC(=O)C3=CC=C(C=C3)OC4=CC=C(C=C4)OC

DOS

IR

Vibrations