Geometry & MOs

Info

ID:

421054

PubChem CID:

135115294

Reduced:

F2O2N3C15H19 (1)

Stoich.:

A2B2C3D15E19 (1)

Weight, g/mol:

670.347883

ΔHf, kcal/mol:

-129.61

Dipole, Da:

4.69

IP(EA), eV:

 -8.88(-0.46)

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-(pyridine-4-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

CC1=C(N=CN1)CN(CCO)CC2=C(C=CC(=C2F)F)OC

DOS

IR

Vibrations