Geometry & MOs

Info

ID:

168884

PubChem CID:

75036390

Reduced:

F3O4N6C24H33 (1)

Stoich.:

A3B4C6D24E33 (1)

Weight, g/mol:

516.269633

ΔHf, kcal/mol:

-277.4

Dipole, Da:

6.76

IP(EA), eV:

 -9.25(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[6-(1-hydroxypropan-2-yl)-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methylurea

Drug info:

PubChemData

Smile

CC1CN(C(=O)CCCN2C=C(COC1CN(C)C(=O)NC3=CC=CC(=C3)C(F)(F)F)N=N2)C(C)CO

DOS

IR

Vibrations